smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(NOC(=O)CCCc1ccccc1)c1ccccc1 ZINC000004755354 230369120 /nfs/dbraw/zinc/36/91/20/230369120.db2.gz ZEVOCZHOUHWUAT-UHFFFAOYSA-N 1 1 282.343 2.873 50 30 CFEAMO C=CC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079020178 347285338 /nfs/dbraw/zinc/28/53/38/347285338.db2.gz PINNOPPQWQSPIK-UHFFFAOYSA-N 1 1 268.401 2.940 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2snnc2C(C)C)C1 ZINC000091755114 180246775 /nfs/dbraw/zinc/24/67/75/180246775.db2.gz AILRBGQPECNRHO-OAHLLOKOSA-N 1 1 295.452 2.812 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000092021132 180307358 /nfs/dbraw/zinc/30/73/58/180307358.db2.gz RQDHTFXSGGZUSO-QGZVFWFLSA-N 1 1 275.392 2.846 50 30 CFEAMO N#Cc1c(N)sc2c1CCN(c1cc[nH+]cc1Cl)C2 ZINC000089884906 283078601 /nfs/dbraw/zinc/07/86/01/283078601.db2.gz FSHFDXURQOCALK-UHFFFAOYSA-N 1 1 290.779 2.813 50 30 CFEAMO C[N@@H+](CCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000177025714 189021899 /nfs/dbraw/zinc/02/18/99/189021899.db2.gz FACOBZXKOXGNBZ-UHFFFAOYSA-N 1 1 258.365 2.807 50 30 CFEAMO C=CCc1cc(C[N@@H+](C)CC2(C)COC2)ccc1OC ZINC000670453626 541000187 /nfs/dbraw/zinc/00/01/87/541000187.db2.gz SZYFEWPCJYCHEY-UHFFFAOYSA-N 1 1 275.392 2.892 50 30 CFEAMO C[N@@H+](CCC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000215041888 189691186 /nfs/dbraw/zinc/69/11/86/189691186.db2.gz XWRIOUJXZWGYCA-MRXNPFEDSA-N 1 1 258.365 2.949 50 30 CFEAMO CCN(CC)C(N)=C(C#N)N=Nc1ccc(C)cc1 ZINC000000067827 371521668 /nfs/dbraw/zinc/52/16/68/371521668.db2.gz MWAVANUKKAQYMB-BLOLUTEISA-N 1 1 257.341 2.606 50 30 CFEAMO Cc1ccc(-n2ncc(C#N)c2/[NH+]=C/N2CCCC2)cc1 ZINC000000505620 371631747 /nfs/dbraw/zinc/63/17/47/371631747.db2.gz XUGCYAMWEFTMEO-LDADJPATSA-N 1 1 279.347 2.808 50 30 CFEAMO CO/[NH+]=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005658032 371884675 /nfs/dbraw/zinc/88/46/75/371884675.db2.gz SCNPBDYCQHWJDD-UVTDQMKNSA-N 1 1 263.297 2.565 50 30 CFEAMO C=CCN1CC[N@@H+](Cc2ccc(SC)cc2)CCC1=O ZINC000012098739 371942620 /nfs/dbraw/zinc/94/26/20/371942620.db2.gz CUOZIDQRHYLJCF-UHFFFAOYSA-N 1 1 290.432 2.629 50 30 CFEAMO C=CCN1CC[N@H+](Cc2ccc(SC)cc2)CCC1=O ZINC000012098739 371942633 /nfs/dbraw/zinc/94/26/33/371942633.db2.gz CUOZIDQRHYLJCF-UHFFFAOYSA-N 1 1 290.432 2.629 50 30 CFEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccccc2)cc1C ZINC000012655275 371979622 /nfs/dbraw/zinc/97/96/22/371979622.db2.gz WAJWZOUJVJVNFL-UHFFFAOYSA-N 1 1 268.316 2.781 50 30 CFEAMO CC(C)(C)C(=O)ONC(=[NH2+])c1ccc(Br)cc1 ZINC000013635691 372037899 /nfs/dbraw/zinc/03/78/99/372037899.db2.gz QSDHCAJGIZLUHB-UHFFFAOYSA-N 1 1 299.168 2.659 50 30 CFEAMO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000016490025 372108289 /nfs/dbraw/zinc/10/82/89/372108289.db2.gz STSLBMIQEBKTIF-KGLIPLIRSA-N 1 1 258.365 2.915 50 30 CFEAMO C[N@H+]1CCc2nc(SCc3cccnc3)c(C#N)cc2C1 ZINC000020059864 372225423 /nfs/dbraw/zinc/22/54/23/372225423.db2.gz XDOOELGLBBEVRF-UHFFFAOYSA-N 1 1 296.399 2.628 50 30 CFEAMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000024167200 372272925 /nfs/dbraw/zinc/27/29/25/372272925.db2.gz HSEXNLGLVKMHHJ-NSHDSACASA-N 1 1 277.393 2.823 50 30 CFEAMO Cc1[nH]c2ccccc2c1-c1csc(NC(N)=[NH2+])n1 ZINC000027632825 372345457 /nfs/dbraw/zinc/34/54/57/372345457.db2.gz MGPGXJMPBOIORZ-UHFFFAOYSA-N 1 1 271.349 2.505 50 30 CFEAMO C=CCOC[C@H](O)C[N@H+](CCC)Cc1ccsc1 ZINC000036099499 372557506 /nfs/dbraw/zinc/55/75/06/372557506.db2.gz SQBCBWVQPMSIFA-CQSZACIVSA-N 1 1 269.410 2.524 50 30 CFEAMO C=C(C)C[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000048374202 373170949 /nfs/dbraw/zinc/17/09/49/373170949.db2.gz GIVFOYWUCSNSSL-UHFFFAOYSA-N 1 1 274.412 2.607 50 30 CFEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)NC1CCCCC1 ZINC000050400383 373375037 /nfs/dbraw/zinc/37/50/37/373375037.db2.gz SRIKYWMJLNLVAH-CDKJVOIVSA-N 1 1 290.329 2.999 50 30 CFEAMO C=C(C)[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231618 373546036 /nfs/dbraw/zinc/54/60/36/373546036.db2.gz ABKDBHRAGTZDQX-QZTJIDSGSA-N 1 1 284.403 2.939 50 30 CFEAMO C=C(C)[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231618 373546043 /nfs/dbraw/zinc/54/60/43/373546043.db2.gz ABKDBHRAGTZDQX-QZTJIDSGSA-N 1 1 284.403 2.939 50 30 CFEAMO C=CCn1cc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)c(C)n1 ZINC000055386803 373548863 /nfs/dbraw/zinc/54/88/63/373548863.db2.gz IDISSWRUKPPPMK-GOSISDBHSA-N 1 1 299.418 2.933 50 30 CFEAMO CCC#CC[N@@H+]1CC=C(c2cnn(-c3ccccn3)c2)CC1 ZINC000065369719 373859000 /nfs/dbraw/zinc/85/90/00/373859000.db2.gz MPMJTXARNJFZNX-UHFFFAOYSA-N 1 1 292.386 2.770 50 30 CFEAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C#N)C1 ZINC000067788779 374001267 /nfs/dbraw/zinc/00/12/67/374001267.db2.gz LHXLEKOLHKTLEP-HNNXBMFYSA-N 1 1 299.418 2.656 50 30 CFEAMO C=CCC[C@@H](C[N@H+](C)CC)Oc1ccnc(OC)c1C#N ZINC000072470537 374256483 /nfs/dbraw/zinc/25/64/83/374256483.db2.gz AQQHBQYFYLQGOL-ZDUSSCGKSA-N 1 1 289.379 2.627 50 30 CFEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000072253980 374238313 /nfs/dbraw/zinc/23/83/13/374238313.db2.gz SXUWURIZFKFDCF-GJZGRUSLSA-N 1 1 285.395 2.617 50 30 CFEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000072253980 374238314 /nfs/dbraw/zinc/23/83/14/374238314.db2.gz SXUWURIZFKFDCF-GJZGRUSLSA-N 1 1 285.395 2.617 50 30 CFEAMO C=CCCCCC[N@H+](C)CCNC(=O)C1CCCC1 ZINC000089340329 374896205 /nfs/dbraw/zinc/89/62/05/374896205.db2.gz SOYVEQSMTCSDPQ-UHFFFAOYSA-N 1 1 266.429 2.971 50 30 CFEAMO N#Cc1ccc(N2CCC([N@H+]3C[C@H]4C[C@@H]3CCC4)CC2)nc1 ZINC000095502470 375461547 /nfs/dbraw/zinc/46/15/47/375461547.db2.gz ZOOAIHSHGISXIA-PBHICJAKSA-N 1 1 296.418 2.796 50 30 CFEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](CO)C(C)(C)C ZINC000134381661 378008018 /nfs/dbraw/zinc/00/80/18/378008018.db2.gz PZQFXYOOIOLWCH-INIZCTEOSA-N 1 1 285.391 2.650 50 30 CFEAMO C=C(Br)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134907190 378062664 /nfs/dbraw/zinc/06/26/64/378062664.db2.gz VSHASFGUZIRYGS-TZMCWYRMSA-N 1 1 299.256 2.844 50 30 CFEAMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000048324082 412902878 /nfs/dbraw/zinc/90/28/78/412902878.db2.gz VRXUMMQJQFRUFG-UHFFFAOYSA-N 1 1 278.355 2.738 50 30 CFEAMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000048324082 412902884 /nfs/dbraw/zinc/90/28/84/412902884.db2.gz VRXUMMQJQFRUFG-UHFFFAOYSA-N 1 1 278.355 2.738 50 30 CFEAMO O=C1/C(=C/c2ccccc2)CCC[C@H]1C[NH+]1CCOCC1 ZINC000020458230 296312574 /nfs/dbraw/zinc/31/25/74/296312574.db2.gz XLHVHZOUMWHBQL-MAUBAPBLSA-N 1 1 285.387 2.771 50 30 CFEAMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cc(C#N)ccn1 ZINC000299760323 382044183 /nfs/dbraw/zinc/04/41/83/382044183.db2.gz PWRUHCSILMWACS-QGZVFWFLSA-N 1 1 281.359 2.509 50 30 CFEAMO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222683270 382803275 /nfs/dbraw/zinc/80/32/75/382803275.db2.gz RQKPNOYYEWOWLT-GJZGRUSLSA-N 1 1 286.335 2.505 50 30 CFEAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000249694628 383356548 /nfs/dbraw/zinc/35/65/48/383356548.db2.gz PGTOLCYYJIYNSR-IAGOWNOFSA-N 1 1 297.402 2.647 50 30 CFEAMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000268433066 384620915 /nfs/dbraw/zinc/62/09/15/384620915.db2.gz DOPMHGXLZZRMDP-VHDGCEQUSA-N 1 1 281.421 2.837 50 30 CFEAMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000268433066 384620920 /nfs/dbraw/zinc/62/09/20/384620920.db2.gz DOPMHGXLZZRMDP-VHDGCEQUSA-N 1 1 281.421 2.837 50 30 CFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000036101220 393522113 /nfs/dbraw/zinc/52/21/13/393522113.db2.gz LOXMAWQUVXAJSU-AWEZNQCLSA-N 1 1 283.437 2.830 50 30 CFEAMO CC(C)C[N@H+]1CCc2nc(N)c(C#N)c(-c3ccoc3)c2C1 ZINC000072151784 393641951 /nfs/dbraw/zinc/64/19/51/393641951.db2.gz GSRLIWMXUPKBBK-UHFFFAOYSA-N 1 1 296.374 2.810 50 30 CFEAMO COc1ccc(/C=N/[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785714 170017069 /nfs/dbraw/zinc/01/70/69/170017069.db2.gz CZTMDZPKDBTDSQ-FQZJNNTBSA-N 1 1 260.381 2.843 50 30 CFEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccco3)CC2)cc1 ZINC000019773071 170857130 /nfs/dbraw/zinc/85/71/30/170857130.db2.gz STQVDROTNWCOAX-AQTBWJFISA-N 1 1 283.375 2.740 50 30 CFEAMO [NH2+]=C1NC(=Nc2ccc(F)cc2F)c2ccccc21 ZINC000014543839 274942988 /nfs/dbraw/zinc/94/29/88/274942988.db2.gz LPEDMYLDVWPOEA-UHFFFAOYSA-N 1 1 257.243 2.762 50 30 CFEAMO C[N@H+]1CCCC[C@@H]1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000284306370 277044989 /nfs/dbraw/zinc/04/49/89/277044989.db2.gz RZSGPADVQPLSMY-OAHLLOKOSA-N 1 1 295.386 2.748 50 30 CFEAMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000014977791 527077575 /nfs/dbraw/zinc/07/75/75/527077575.db2.gz ZPAAKFIGXGEFPV-KRWDZBQOSA-N 1 1 286.419 2.776 50 30 CFEAMO N#Cc1cc2n(n1)CC[N@@H+](CCC1CCCCCC1)C2 ZINC000670452476 570400743 /nfs/dbraw/zinc/40/07/43/570400743.db2.gz IMHDICUQCHVXHJ-UHFFFAOYSA-N 1 1 272.396 2.931 50 30 CFEAMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1OC ZINC000095982268 185054551 /nfs/dbraw/zinc/05/45/51/185054551.db2.gz AGSDRIYEXMWSQT-HNNXBMFYSA-N 1 1 291.391 2.607 50 30 CFEAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cccc(F)c2C#N)C1 ZINC000095971011 347699642 /nfs/dbraw/zinc/69/96/42/347699642.db2.gz ATNSTALBRQOFND-IUODEOHRSA-N 1 1 273.355 2.618 50 30 CFEAMO N#Cc1cccc(-c2nc([C@H]3CCCCC[NH2+]3)no2)c1 ZINC000096001505 347699709 /nfs/dbraw/zinc/69/97/09/347699709.db2.gz FMNIQBIZXFPALC-CYBMUJFWSA-N 1 1 268.320 2.813 50 30 CFEAMO C=CCc1cc(C[N@@H+]2CCC[C@@H](OC)C2)cc(OC)c1O ZINC000091772453 180248904 /nfs/dbraw/zinc/24/89/04/180248904.db2.gz YSCVIJYOMSPGPJ-OAHLLOKOSA-N 1 1 291.391 2.740 50 30 CFEAMO C=C(Br)CN1CC[N@H+](C)CC12CCCCC2 ZINC000083881674 540187913 /nfs/dbraw/zinc/18/79/13/540187913.db2.gz JSJJVWYNRIIWNE-UHFFFAOYSA-N 1 1 287.245 2.845 50 30 CFEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000229516841 540190160 /nfs/dbraw/zinc/19/01/60/540190160.db2.gz SXUWURIZFKFDCF-CABCVRRESA-N 1 1 285.395 2.617 50 30 CFEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000229516841 540190164 /nfs/dbraw/zinc/19/01/64/540190164.db2.gz SXUWURIZFKFDCF-CABCVRRESA-N 1 1 285.395 2.617 50 30 CFEAMO Cc1cc(C)n(CCC[N@H+](C)Cc2cc(C#N)n(C)c2C)n1 ZINC000670457694 541001997 /nfs/dbraw/zinc/00/19/97/541001997.db2.gz OSJRTJWCWUUSRL-UHFFFAOYSA-N 1 1 299.422 2.541 50 30 CFEAMO CC[C@]1(C)C[C@@]2(CCC[N@H+](CC#CCN(C)C)C2)CCO1 ZINC000001794661 371706879 /nfs/dbraw/zinc/70/68/79/371706879.db2.gz YSTCJAQWGIWABF-QZTJIDSGSA-N 1 1 292.467 2.613 50 30 CFEAMO CC[C@]1(C)C[C@@]2(CCC[N@@H+](CC#CCN(C)C)C2)CCO1 ZINC000001794661 371706884 /nfs/dbraw/zinc/70/68/84/371706884.db2.gz YSTCJAQWGIWABF-QZTJIDSGSA-N 1 1 292.467 2.613 50 30 CFEAMO CN(C)/C=[NH+]/c1c(C#N)cnn1-c1ccc(F)c(Cl)c1 ZINC000004300531 371849003 /nfs/dbraw/zinc/84/90/03/371849003.db2.gz MNCYLHJHZOUDLB-CAOOACKPSA-N 1 1 291.717 2.758 50 30 CFEAMO C[C@@H]1C/C(=N\Oc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000013556415 372031785 /nfs/dbraw/zinc/03/17/85/372031785.db2.gz UQBBTDSGUQJIBT-MOBAYIMXSA-N 1 1 277.324 2.690 50 30 CFEAMO C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N\Oc1ccccc1[N+](=O)[O-] ZINC000013556421 372032114 /nfs/dbraw/zinc/03/21/14/372032114.db2.gz UQBBTDSGUQJIBT-JUPAPPBASA-N 1 1 277.324 2.690 50 30 CFEAMO C[N@H+](CC(=O)Nc1nncs1)[C@H]1CCc2ccccc21 ZINC000045810580 373034473 /nfs/dbraw/zinc/03/44/73/373034473.db2.gz CHSPQRSZXYMFPG-LBPRGKRZSA-N 1 1 288.376 2.745 50 30 CFEAMO C[N@@H+](CC(=O)Nc1nncs1)[C@H]1CCc2ccccc21 ZINC000045810580 373034480 /nfs/dbraw/zinc/03/44/80/373034480.db2.gz CHSPQRSZXYMFPG-LBPRGKRZSA-N 1 1 288.376 2.745 50 30 CFEAMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(C#N)c1 ZINC000058411556 373654416 /nfs/dbraw/zinc/65/44/16/373654416.db2.gz NEIYSXQTEFOGNM-UHFFFAOYSA-N 1 1 299.418 2.895 50 30 CFEAMO N#CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057996675 373621116 /nfs/dbraw/zinc/62/11/16/373621116.db2.gz BXRPHRDCYXUHDU-UHFFFAOYSA-N 1 1 263.772 2.766 50 30 CFEAMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000076325282 374547141 /nfs/dbraw/zinc/54/71/41/374547141.db2.gz GLYRTCCVBLPCBX-GHMZBOCLSA-N 1 1 262.191 2.520 50 30 CFEAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000082087034 374726034 /nfs/dbraw/zinc/72/60/34/374726034.db2.gz QALRMIVEXVWODG-INIZCTEOSA-N 1 1 280.375 2.671 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)[nH]n1 ZINC000089599056 374928612 /nfs/dbraw/zinc/92/86/12/374928612.db2.gz ZANCZXDJKLAARO-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000089599056 374928619 /nfs/dbraw/zinc/92/86/19/374928619.db2.gz ZANCZXDJKLAARO-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000089599056 374928625 /nfs/dbraw/zinc/92/86/25/374928625.db2.gz ZANCZXDJKLAARO-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)S1 ZINC000092541280 375121347 /nfs/dbraw/zinc/12/13/47/375121347.db2.gz PBQCELKUXAOZFI-AOOOYVTPSA-N 1 1 252.408 2.946 50 30 CFEAMO N#Cc1ccccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200497 375536353 /nfs/dbraw/zinc/53/63/53/375536353.db2.gz CIQBREGBWRNAJE-OAHLLOKOSA-N 1 1 292.386 2.887 50 30 CFEAMO Cc1noc([C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000332219459 378737633 /nfs/dbraw/zinc/73/76/33/378737633.db2.gz VJMFXDGBCYADST-NHYWBVRUSA-N 1 1 282.347 2.800 50 30 CFEAMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000170614539 379128562 /nfs/dbraw/zinc/12/85/62/379128562.db2.gz PAWGYRRUAAAZJT-INIZCTEOSA-N 1 1 285.391 2.956 50 30 CFEAMO C=C1C(=O)O[C@]2(C)C[N@H+](C)[C@H](c3ccccc3)C[C@@H]12 ZINC000252617574 383421781 /nfs/dbraw/zinc/42/17/81/383421781.db2.gz KWAFPAXUOFTRRO-OFQRWUPVSA-N 1 1 257.333 2.551 50 30 CFEAMO C=CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000218551649 393758231 /nfs/dbraw/zinc/75/82/31/393758231.db2.gz KIIAUJWALROYOP-INIZCTEOSA-N 1 1 272.392 2.629 50 30 CFEAMO Cc1ccc(C(=[NH2+])NOC(=O)c2ccccc2)cc1F ZINC000004394904 169964946 /nfs/dbraw/zinc/96/49/46/169964946.db2.gz LLRAVKWSNREBCK-UHFFFAOYSA-N 1 1 272.279 2.611 50 30 CFEAMO [NH2+]=C(NOC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004723514 170006021 /nfs/dbraw/zinc/00/60/21/170006021.db2.gz FKDAIPOLSXCCGF-UHFFFAOYSA-N 1 1 292.697 2.956 50 30 CFEAMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000040480118 174284328 /nfs/dbraw/zinc/28/43/28/174284328.db2.gz DDUGFMANZMWUPQ-INIZCTEOSA-N 1 1 278.359 2.640 50 30 CFEAMO CC(C)[N@H+](CCNCc1ccc(C#N)cc1)C1CC1 ZINC000071857601 176279079 /nfs/dbraw/zinc/27/90/79/176279079.db2.gz CADROJGRPPSTIV-UHFFFAOYSA-N 1 1 257.381 2.521 50 30 CFEAMO CC(C)[N@@H+](CCNCc1ccc(C#N)cc1)C1CC1 ZINC000071857601 176279082 /nfs/dbraw/zinc/27/90/82/176279082.db2.gz CADROJGRPPSTIV-UHFFFAOYSA-N 1 1 257.381 2.521 50 30 CFEAMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000077323246 177252321 /nfs/dbraw/zinc/25/23/21/177252321.db2.gz DOSCRDGYDKRKKW-UHFFFAOYSA-N 1 1 288.391 2.826 50 30 CFEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1ccc(C)cc1 ZINC000004977842 260016731 /nfs/dbraw/zinc/01/67/31/260016731.db2.gz RVAAZFYYGIQCHU-UHFFFAOYSA-N 1 1 298.342 2.675 50 30 CFEAMO NC(=[NH2+])Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000013690338 274941815 /nfs/dbraw/zinc/94/18/15/274941815.db2.gz NHFCCNASFLDVKL-UHFFFAOYSA-N 1 1 268.345 2.868 50 30 CFEAMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000007016416 520351005 /nfs/dbraw/zinc/35/10/05/520351005.db2.gz OCNLUTQIOVQTCR-QGZVFWFLSA-N 1 1 287.407 2.563 50 30 CFEAMO Cc1ccc(C)c(C(=O)ONC(=[NH2+])c2ccccc2)c1 ZINC000005059409 524088809 /nfs/dbraw/zinc/08/88/09/524088809.db2.gz BAPQOXTUNCXSNO-UHFFFAOYSA-N 1 1 268.316 2.781 50 30 CFEAMO C=CCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000097162991 527328116 /nfs/dbraw/zinc/32/81/16/527328116.db2.gz OBXVABOTWKRJBL-OAHLLOKOSA-N 1 1 259.349 2.536 50 30 CFEAMO C=CCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000097162991 527328121 /nfs/dbraw/zinc/32/81/21/527328121.db2.gz OBXVABOTWKRJBL-OAHLLOKOSA-N 1 1 259.349 2.536 50 30 CFEAMO C[C@@H]([NH2+][C@H](CO)c1ccco1)c1ccc(C#N)cc1 ZINC000096493428 230383217 /nfs/dbraw/zinc/38/32/17/230383217.db2.gz QTOKZPKZDHQKIB-BXUZGUMPSA-N 1 1 256.305 2.535 50 30 CFEAMO C[C@@]1(C#N)CCC[N@H+](CCOCc2ccccc2)C1 ZINC000595427969 349622589 /nfs/dbraw/zinc/62/25/89/349622589.db2.gz VMRFQLNSNAJTHZ-INIZCTEOSA-N 1 1 258.365 2.829 50 30 CFEAMO C[C@@]1(C#N)CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000595427969 349622593 /nfs/dbraw/zinc/62/25/93/349622593.db2.gz VMRFQLNSNAJTHZ-INIZCTEOSA-N 1 1 258.365 2.829 50 30 CFEAMO C=C(Br)CN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000079014970 347285239 /nfs/dbraw/zinc/28/52/39/347285239.db2.gz JSDFVZLYBMHGLD-LBPRGKRZSA-N 1 1 275.234 2.559 50 30 CFEAMO N#CCC[N@@H+](CCC1CCCC1)C[C@H]1CCOC1 ZINC000078876496 347277897 /nfs/dbraw/zinc/27/78/97/347277897.db2.gz NUXNFCYCIXEEJM-OAHLLOKOSA-N 1 1 250.386 2.819 50 30 CFEAMO N#CC1(c2nc([C@@H]3CCCCC[NH2+]3)no2)CCCCC1 ZINC000096001565 347699802 /nfs/dbraw/zinc/69/98/02/347699802.db2.gz PPBCCEIKIDSLFE-LBPRGKRZSA-N 1 1 274.368 3.000 50 30 CFEAMO CC(C)CC(=O)N1CCC(C[N@@H+](C)[C@@H](C)CC#N)CC1 ZINC000170597307 348055864 /nfs/dbraw/zinc/05/58/64/348055864.db2.gz QNSXZHOUMCVZAX-AWEZNQCLSA-N 1 1 279.428 2.505 50 30 CFEAMO CCC#CC[N@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091585594 180199713 /nfs/dbraw/zinc/19/97/13/180199713.db2.gz YRLUHSRSTQUJLK-GOSISDBHSA-N 1 1 288.435 2.514 50 30 CFEAMO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000585090154 540461274 /nfs/dbraw/zinc/46/12/74/540461274.db2.gz OPJYJKOGMKSITR-CRWXNKLISA-N 1 1 252.402 2.528 50 30 CFEAMO COc1ccccc1OCC#CC[N@H+]1CCC[C@@H](C)C1 ZINC000002862890 371761280 /nfs/dbraw/zinc/76/12/80/371761280.db2.gz NZWKOGWKHDUWSL-OAHLLOKOSA-N 1 1 273.376 2.809 50 30 CFEAMO Cc1ccccc1C(=[NH2+])NOC(=O)c1cccs1 ZINC000004309986 371848633 /nfs/dbraw/zinc/84/86/33/371848633.db2.gz WNHVMJXGJPAPEP-UHFFFAOYSA-N 1 1 260.318 2.534 50 30 CFEAMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000014977788 372076869 /nfs/dbraw/zinc/07/68/69/372076869.db2.gz ZPAAKFIGXGEFPV-QGZVFWFLSA-N 1 1 286.419 2.776 50 30 CFEAMO C=CCN1CC[N@@H+](Cc2ccc(Cl)cc2)CCC1=O ZINC000015004826 372077058 /nfs/dbraw/zinc/07/70/58/372077058.db2.gz QELUTQGFTZJTKL-UHFFFAOYSA-N 1 1 278.783 2.560 50 30 CFEAMO C=CCN1CC[N@H+](Cc2ccc(Cl)cc2)CCC1=O ZINC000015004826 372077061 /nfs/dbraw/zinc/07/70/61/372077061.db2.gz QELUTQGFTZJTKL-UHFFFAOYSA-N 1 1 278.783 2.560 50 30 CFEAMO [NH2+]=C(NOC(=O)C=Cc1ccccc1)c1ccccc1 ZINC000018123318 372140890 /nfs/dbraw/zinc/14/08/90/372140890.db2.gz BMMPZWHPWPTZSM-VAWYXSNFSA-N 1 1 266.300 2.564 50 30 CFEAMO Oc1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771329 372184509 /nfs/dbraw/zinc/18/45/09/372184509.db2.gz NVQRMPQPJSCBRR-XMHGGMMESA-N 1 1 295.386 2.544 50 30 CFEAMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000058055763 373624473 /nfs/dbraw/zinc/62/44/73/373624473.db2.gz KPKPHFVJODZKSK-GFCCVEGCSA-N 1 1 288.351 2.610 50 30 CFEAMO N#CCCNC(=O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000058217641 373633243 /nfs/dbraw/zinc/63/32/43/373633243.db2.gz SXWJSDNJNVJHSC-QGZVFWFLSA-N 1 1 297.402 2.558 50 30 CFEAMO C=CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789663 373726293 /nfs/dbraw/zinc/72/62/93/373726293.db2.gz IOEMXULXOQAMFC-UHFFFAOYSA-N 1 1 291.420 2.543 50 30 CFEAMO C[C@H](CC#N)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831279 373957053 /nfs/dbraw/zinc/95/70/53/373957053.db2.gz OUUJVLSPNHKJFD-CYBMUJFWSA-N 1 1 295.390 2.953 50 30 CFEAMO N#CCN1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069419040 374061361 /nfs/dbraw/zinc/06/13/61/374061361.db2.gz UALKFPPCSGABGH-DLBZAZTESA-N 1 1 269.392 2.639 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069950234 374112251 /nfs/dbraw/zinc/11/22/51/374112251.db2.gz QHVVTSDDCQIMPC-MRXNPFEDSA-N 1 1 284.338 2.558 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069950234 374112260 /nfs/dbraw/zinc/11/22/60/374112260.db2.gz QHVVTSDDCQIMPC-MRXNPFEDSA-N 1 1 284.338 2.558 50 30 CFEAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000070040503 374119118 /nfs/dbraw/zinc/11/91/18/374119118.db2.gz ZCXLYIDNLYSRAI-KRWDZBQOSA-N 1 1 280.375 2.728 50 30 CFEAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1F ZINC000082049288 374724085 /nfs/dbraw/zinc/72/40/85/374724085.db2.gz XELGLCVACSPCHU-UHFFFAOYSA-N 1 1 293.342 2.969 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c(F)c1 ZINC000089768263 374948147 /nfs/dbraw/zinc/94/81/47/374948147.db2.gz KFLMPPKPJLLUBV-HNNXBMFYSA-N 1 1 296.349 2.867 50 30 CFEAMO C=C(Br)CN1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003727 374983634 /nfs/dbraw/zinc/98/36/34/374983634.db2.gz JPYVAVHHYUQNHS-GFCCVEGCSA-N 1 1 298.228 2.583 50 30 CFEAMO C=C(Br)C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003727 374983637 /nfs/dbraw/zinc/98/36/37/374983637.db2.gz JPYVAVHHYUQNHS-GFCCVEGCSA-N 1 1 298.228 2.583 50 30 CFEAMO C=C(Br)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003727 374983641 /nfs/dbraw/zinc/98/36/41/374983641.db2.gz JPYVAVHHYUQNHS-GFCCVEGCSA-N 1 1 298.228 2.583 50 30 CFEAMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCC(C)CC1 ZINC000095466193 375458643 /nfs/dbraw/zinc/45/86/43/375458643.db2.gz GSRPBPXNGGCMSQ-UHFFFAOYSA-N 1 1 290.407 2.569 50 30 CFEAMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCC(C)CC1 ZINC000095466193 375458645 /nfs/dbraw/zinc/45/86/45/375458645.db2.gz GSRPBPXNGGCMSQ-UHFFFAOYSA-N 1 1 290.407 2.569 50 30 CFEAMO CCCCSc1nc(N2CCC(C#N)CC2)cc(N)[nH+]1 ZINC000095390169 375428532 /nfs/dbraw/zinc/42/85/32/375428532.db2.gz GVFFGHBHWXDBAR-UHFFFAOYSA-N 1 1 291.424 2.691 50 30 CFEAMO CCCCSc1nc(N)cc(N2CCC(C#N)CC2)[nH+]1 ZINC000095390169 375428538 /nfs/dbraw/zinc/42/85/38/375428538.db2.gz GVFFGHBHWXDBAR-UHFFFAOYSA-N 1 1 291.424 2.691 50 30 CFEAMO CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cn3)c2C1 ZINC000097046488 375501116 /nfs/dbraw/zinc/50/11/16/375501116.db2.gz SIHDXFBBVSKQDX-UHFFFAOYSA-N 1 1 292.342 2.541 50 30 CFEAMO CC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cn3)c2C1 ZINC000097046488 375501119 /nfs/dbraw/zinc/50/11/19/375501119.db2.gz SIHDXFBBVSKQDX-UHFFFAOYSA-N 1 1 292.342 2.541 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000241132764 382983488 /nfs/dbraw/zinc/98/34/88/382983488.db2.gz JLNAKOUQJGPVQC-WMZOPIPTSA-N 1 1 299.418 2.660 50 30 CFEAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000585116998 383114641 /nfs/dbraw/zinc/11/46/41/383114641.db2.gz ONLXKGDMQAMUDU-GJZGRUSLSA-N 1 1 291.439 2.697 50 30 CFEAMO O=C(C[n+]1cccc2cccc(O)c21)c1ccccc1 ZINC000001595239 169721504 /nfs/dbraw/zinc/72/15/04/169721504.db2.gz YOTIHEBHJNFLMN-UHFFFAOYSA-O 1 1 264.304 2.716 50 30 CFEAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(CO)CCCC1 ZINC000329525091 393542017 /nfs/dbraw/zinc/54/20/17/393542017.db2.gz SLSGSLQFAJBEJJ-CQSZACIVSA-N 1 1 282.428 2.760 50 30 CFEAMO C=CCn1c2ccccc2n(C[C@H](O)C(C)(C)C)c1=[NH2+] ZINC000019771379 170856639 /nfs/dbraw/zinc/85/66/39/170856639.db2.gz UPCOAWBOZPGUJV-AWEZNQCLSA-N 1 1 273.380 2.515 50 30 CFEAMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000040480121 174284309 /nfs/dbraw/zinc/28/43/09/174284309.db2.gz DDUGFMANZMWUPQ-MRXNPFEDSA-N 1 1 278.359 2.640 50 30 CFEAMO C[C@@H](CNc1ncccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000040511150 174304488 /nfs/dbraw/zinc/30/44/88/174304488.db2.gz GRAMBSIKOAMRMJ-LBPRGKRZSA-N 1 1 298.415 2.873 50 30 CFEAMO C=CC[N@H+](C)Cc1cc2ccc(SC)cc2[nH]c1=O ZINC000067805849 175794296 /nfs/dbraw/zinc/79/42/96/175794296.db2.gz FZAUDGXHBXSCBC-UHFFFAOYSA-N 1 1 274.389 2.868 50 30 CFEAMO CC(C)[C@@H]1CN(c2cccc(C#N)n2)CCC[N@H+]1CC1CC1 ZINC000071712219 176248857 /nfs/dbraw/zinc/24/88/57/176248857.db2.gz MEDJKEORYVTWFV-KRWDZBQOSA-N 1 1 298.434 2.900 50 30 CFEAMO CC(C)[C@H]1CN(c2cccc(C#N)n2)CCC[N@H+]1CC1CC1 ZINC000071712220 176249031 /nfs/dbraw/zinc/24/90/31/176249031.db2.gz MEDJKEORYVTWFV-QGZVFWFLSA-N 1 1 298.434 2.900 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000071873529 176284269 /nfs/dbraw/zinc/28/42/69/176284269.db2.gz CERJYHLLGUUDDU-UHFFFAOYSA-N 1 1 298.415 2.727 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)cc1 ZINC000071875201 176284861 /nfs/dbraw/zinc/28/48/61/176284861.db2.gz FLDMKENCBURLDO-KRWDZBQOSA-N 1 1 280.375 2.809 50 30 CFEAMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000076802695 177099748 /nfs/dbraw/zinc/09/97/48/177099748.db2.gz IMRZGMKDKBOXEH-INIZCTEOSA-N 1 1 271.408 2.887 50 30 CFEAMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000076802695 177099749 /nfs/dbraw/zinc/09/97/49/177099749.db2.gz IMRZGMKDKBOXEH-INIZCTEOSA-N 1 1 271.408 2.887 50 30 CFEAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000076802695 177099751 /nfs/dbraw/zinc/09/97/51/177099751.db2.gz IMRZGMKDKBOXEH-INIZCTEOSA-N 1 1 271.408 2.887 50 30 CFEAMO CN(Cc1ccccc1C#N)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000826792166 782028206 /nfs/dbraw/zinc/02/82/06/782028206.db2.gz RGPCWDROMDIXDW-INIZCTEOSA-N 1 1 271.408 2.720 50 30 CFEAMO CO/[NH+]=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004049808 277047277 /nfs/dbraw/zinc/04/72/77/277047277.db2.gz JFCSVIRLGLRRKD-GXDHUFHOSA-N 1 1 263.297 2.565 50 30 CFEAMO Cc1ccccc1[C@@H](C(=O)N1CCC(C)(C#N)CC1)[NH+](C)C ZINC000217624174 302113375 /nfs/dbraw/zinc/11/33/75/302113375.db2.gz CDAOJYUTFZBEQL-INIZCTEOSA-N 1 1 299.418 2.750 50 30 CFEAMO Cc1ccc(OCC(=O)ONC(=[NH2+])c2ccccc2)cc1C ZINC000005041796 525397165 /nfs/dbraw/zinc/39/71/65/525397165.db2.gz GJKDSNOQMKCDLL-UHFFFAOYSA-N 1 1 298.342 2.546 50 30 CFEAMO C#CC[N@@H+](Cc1ccnn1C)[C@@H]1CCc2ccccc21 ZINC000127545640 526912264 /nfs/dbraw/zinc/91/22/64/526912264.db2.gz MBRJXDAYSNXRIL-QGZVFWFLSA-N 1 1 265.360 2.543 50 30 CFEAMO C#CC[N@H+](Cc1ccnn1C)[C@@H]1CCc2ccccc21 ZINC000127545640 526912268 /nfs/dbraw/zinc/91/22/68/526912268.db2.gz MBRJXDAYSNXRIL-QGZVFWFLSA-N 1 1 265.360 2.543 50 30 CFEAMO CC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248167155 536001882 /nfs/dbraw/zinc/00/18/82/536001882.db2.gz PBBIQOCFTHAXMX-DLBZAZTESA-N 1 1 272.392 2.773 50 30 CFEAMO CC[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248167155 536001886 /nfs/dbraw/zinc/00/18/86/536001886.db2.gz PBBIQOCFTHAXMX-DLBZAZTESA-N 1 1 272.392 2.773 50 30 CFEAMO C[N@@H+](Cc1c[nH]c(C#N)c1)[C@H](c1ccccn1)C1CC1 ZINC000952984903 616164343 /nfs/dbraw/zinc/16/43/43/616164343.db2.gz CHAAIPANIUXBCR-INIZCTEOSA-N 1 1 266.348 2.864 50 30 CFEAMO C[N@@H+](CCC#N)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000096455318 529868025 /nfs/dbraw/zinc/86/80/25/529868025.db2.gz PYLHUYWYFJYROC-UHFFFAOYSA-N 1 1 281.400 2.668 50 30 CFEAMO [NH2+]=C(NOC(=O)CC1CCCCC1)c1ccccc1 ZINC000004803374 346210378 /nfs/dbraw/zinc/21/03/78/346210378.db2.gz WYMIHGCMPZLCMN-UHFFFAOYSA-N 1 1 260.337 2.821 50 30 CFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1C)[C@@H](C)CC ZINC000169677076 348051667 /nfs/dbraw/zinc/05/16/67/348051667.db2.gz NIEPBSBJIRAVML-FUHWJXTLSA-N 1 1 289.419 2.606 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000091877145 180279023 /nfs/dbraw/zinc/27/90/23/180279023.db2.gz IHQHFBMPDKIZKG-KRWDZBQOSA-N 1 1 293.382 2.985 50 30 CFEAMO C[C@H](CC#N)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000612584507 351838487 /nfs/dbraw/zinc/83/84/87/351838487.db2.gz MXNXIUTZGUIDNK-SECBINFHSA-N 1 1 258.243 2.977 50 30 CFEAMO CCC#CC[N@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091585596 540397032 /nfs/dbraw/zinc/39/70/32/540397032.db2.gz YRLUHSRSTQUJLK-SFHVURJKSA-N 1 1 288.435 2.514 50 30 CFEAMO CCC#CC[N@H+]1CCN(c2ccc(OC)cc2)C[C@H]1C ZINC000670434952 540993172 /nfs/dbraw/zinc/99/31/72/540993172.db2.gz DMQNNTPWDMCESL-OAHLLOKOSA-N 1 1 272.392 2.619 50 30 CFEAMO COc1ccc(/C=N/[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000000244225 371567980 /nfs/dbraw/zinc/56/79/80/371567980.db2.gz CZTMDZPKDBTDSQ-VVHNOBQSSA-N 1 1 260.381 2.843 50 30 CFEAMO C[N@H+]1CCc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1 ZINC000002475774 371728674 /nfs/dbraw/zinc/72/86/74/371728674.db2.gz CMRUGDIVOLSBBJ-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO N#Cc1ccccc1C(=O)c1ccccc1C[NH+]1CCC1 ZINC000002515601 371731486 /nfs/dbraw/zinc/73/14/86/371731486.db2.gz LVHDPAJXIQUJPS-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO [NH2+]=C(NOC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000004362358 371853595 /nfs/dbraw/zinc/85/35/95/371853595.db2.gz BUTZZDLVAWAPRH-UHFFFAOYSA-N 1 1 297.339 2.774 50 30 CFEAMO Cc1occc1C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000013635646 372037957 /nfs/dbraw/zinc/03/79/57/372037957.db2.gz WDBPCBPBXBUZBT-UHFFFAOYSA-N 1 1 278.695 2.719 50 30 CFEAMO C=CCOc1c(Cl)cc(CNCC[NH+](C)C)cc1OC ZINC000019872397 372201418 /nfs/dbraw/zinc/20/14/18/372201418.db2.gz YQENYWGFALEDRS-UHFFFAOYSA-N 1 1 298.814 2.565 50 30 CFEAMO CC[NH+](CC)CC(=O)Nc1nnc(-c2ccco2)s1 ZINC000019897380 372204170 /nfs/dbraw/zinc/20/41/70/372204170.db2.gz WNSWHPDUQQNQFQ-UHFFFAOYSA-N 1 1 280.353 2.728 50 30 CFEAMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H]1CO ZINC000023281681 372257011 /nfs/dbraw/zinc/25/70/11/372257011.db2.gz HNHVFEIIQDBLCW-HNNXBMFYSA-N 1 1 261.365 2.598 50 30 CFEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccccc1 ZINC000026328034 372318725 /nfs/dbraw/zinc/31/87/25/372318725.db2.gz JVVINOKKMVGGEX-QGZVFWFLSA-N 1 1 266.344 2.724 50 30 CFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1cc(C)ccc1C)C(C)C ZINC000036103880 372561100 /nfs/dbraw/zinc/56/11/00/372561100.db2.gz WBJGAQHTGYWAKJ-GOSISDBHSA-N 1 1 289.419 2.525 50 30 CFEAMO C=CCOc1ccccc1C[NH2+]C1CCN(CC)CC1 ZINC000037976766 372743063 /nfs/dbraw/zinc/74/30/63/372743063.db2.gz YRZGLEWPBXKXLW-UHFFFAOYSA-N 1 1 274.408 2.825 50 30 CFEAMO C=C(C)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000053138868 373464505 /nfs/dbraw/zinc/46/45/05/373464505.db2.gz WQBNKVLCELJHFC-UHFFFAOYSA-N 1 1 260.381 2.531 50 30 CFEAMO C[C@@](O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)C1CC1 ZINC000055095257 373540214 /nfs/dbraw/zinc/54/02/14/373540214.db2.gz DGDQAXYQNZLNJU-QZTJIDSGSA-N 1 1 284.403 2.773 50 30 CFEAMO C[C@@](O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)C1CC1 ZINC000055095257 373540224 /nfs/dbraw/zinc/54/02/24/373540224.db2.gz DGDQAXYQNZLNJU-QZTJIDSGSA-N 1 1 284.403 2.773 50 30 CFEAMO N#Cc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000058244960 373637145 /nfs/dbraw/zinc/63/71/45/373637145.db2.gz FCXFDRXKWNZCJB-UHFFFAOYSA-N 1 1 266.348 2.661 50 30 CFEAMO C=C(C)COc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000063845887 373817024 /nfs/dbraw/zinc/81/70/24/373817024.db2.gz UUFCOTPYGSWSPQ-UHFFFAOYSA-N 1 1 257.337 2.654 50 30 CFEAMO C=C(C)COc1c(OC)cccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000065371780 373859229 /nfs/dbraw/zinc/85/92/29/373859229.db2.gz KCFJBQPONMEIQC-HNNXBMFYSA-N 1 1 299.374 2.608 50 30 CFEAMO N#Cc1ccc(C[N@@H+](CCO)Cc2cccs2)cc1 ZINC000065373533 373859479 /nfs/dbraw/zinc/85/94/79/373859479.db2.gz TXCWUIQJMDLRNE-UHFFFAOYSA-N 1 1 272.373 2.614 50 30 CFEAMO CCC#CC[N@H+]1CCC=C([C@@H](CC(C)C)NC(C)=O)C1 ZINC000065405285 373865787 /nfs/dbraw/zinc/86/57/87/373865787.db2.gz LJOMNJWYFCNGQB-QGZVFWFLSA-N 1 1 276.424 2.583 50 30 CFEAMO CC(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000067817839 374005120 /nfs/dbraw/zinc/00/51/20/374005120.db2.gz NLXVEKIPJBGQGK-KRWDZBQOSA-N 1 1 299.418 2.542 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069770300 374096165 /nfs/dbraw/zinc/09/61/65/374096165.db2.gz IOMPYTYCRAEKII-KRWDZBQOSA-N 1 1 298.365 2.949 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000069770300 374096176 /nfs/dbraw/zinc/09/61/76/374096176.db2.gz IOMPYTYCRAEKII-KRWDZBQOSA-N 1 1 298.365 2.949 50 30 CFEAMO C[N@H+](CC[S@](=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069869626 374104200 /nfs/dbraw/zinc/10/42/00/374104200.db2.gz CNAHLUPROIDEFL-OAQYLSRUSA-N 1 1 298.411 2.798 50 30 CFEAMO C[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069869626 374104202 /nfs/dbraw/zinc/10/42/02/374104202.db2.gz CNAHLUPROIDEFL-OAQYLSRUSA-N 1 1 298.411 2.798 50 30 CFEAMO C#CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000093819757 375316882 /nfs/dbraw/zinc/31/68/82/375316882.db2.gz LBLDLKDIMXUTQJ-UHFFFAOYSA-N 1 1 278.359 2.584 50 30 CFEAMO Cn1cc[nH+]c1CC1CCN(c2ccc(C#N)cc2)CC1 ZINC000105793606 375793155 /nfs/dbraw/zinc/79/31/55/375793155.db2.gz DBVSVRYUEKORIB-UHFFFAOYSA-N 1 1 280.375 2.751 50 30 CFEAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC#N)cc1 ZINC000130347245 377541236 /nfs/dbraw/zinc/54/12/36/377541236.db2.gz CSMPOOAUZFIPFJ-AWEZNQCLSA-N 1 1 285.391 2.591 50 30 CFEAMO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000230251100 382858013 /nfs/dbraw/zinc/85/80/13/382858013.db2.gz KLYFALREGDUHSA-HZPDHXFCSA-N 1 1 256.349 2.702 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000230251100 382858015 /nfs/dbraw/zinc/85/80/15/382858015.db2.gz KLYFALREGDUHSA-HZPDHXFCSA-N 1 1 256.349 2.702 50 30 CFEAMO C[N@H+]1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1 ZINC000252549439 383419569 /nfs/dbraw/zinc/41/95/69/383419569.db2.gz RFFAENLKMKGDHP-IRXDYDNUSA-N 1 1 278.359 2.811 50 30 CFEAMO N#CCCCC[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000071910721 393641356 /nfs/dbraw/zinc/64/13/56/393641356.db2.gz HQKGFZGKNQEQEY-INIZCTEOSA-N 1 1 258.365 2.878 50 30 CFEAMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092797004 393791067 /nfs/dbraw/zinc/79/10/67/393791067.db2.gz JUNRHYVUYCLCTA-QGZVFWFLSA-N 1 1 299.418 2.758 50 30 CFEAMO Cc1ccc(C#N)c(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n1 ZINC000095511744 393812625 /nfs/dbraw/zinc/81/26/25/393812625.db2.gz ODZHSYPBAQMLMH-NVXWUHKLSA-N 1 1 296.418 2.572 50 30 CFEAMO C=CCSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000011903974 397538030 /nfs/dbraw/zinc/53/80/30/397538030.db2.gz LQNKTYURYVPSIA-NSHDSACASA-N 1 1 261.350 2.590 50 30 CFEAMO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000048366626 397589521 /nfs/dbraw/zinc/58/95/21/397589521.db2.gz JTSOIENICMCGJS-GFCCVEGCSA-N 1 1 267.394 2.659 50 30 CFEAMO C=C(C)C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000048366626 397589522 /nfs/dbraw/zinc/58/95/22/397589522.db2.gz JTSOIENICMCGJS-GFCCVEGCSA-N 1 1 267.394 2.659 50 30 CFEAMO C[NH+](C)[C@H](Cc1ccc(C#N)cc1)C(=O)c1ccccc1 ZINC000006544296 170212142 /nfs/dbraw/zinc/21/21/42/170212142.db2.gz JHADWHLKPDXQLN-QGZVFWFLSA-N 1 1 278.355 2.914 50 30 CFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C)CC1 ZINC000007389309 170282377 /nfs/dbraw/zinc/28/23/77/170282377.db2.gz GDCDFRNRETUHMH-CYBMUJFWSA-N 1 1 271.364 2.617 50 30 CFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C)CC1 ZINC000007389307 170282421 /nfs/dbraw/zinc/28/24/21/170282421.db2.gz GDCDFRNRETUHMH-ZDUSSCGKSA-N 1 1 271.364 2.617 50 30 CFEAMO C=CCc1cc(C)c(OCCN2CCN(C)CC2)c(C)c1 ZINC000020639699 171268847 /nfs/dbraw/zinc/26/88/47/171268847.db2.gz MUYWXXXPQVJMBZ-UHFFFAOYSA-N 1 1 288.435 2.658 50 30 CFEAMO C=CCc1cc(C)c(OCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000020639699 171268848 /nfs/dbraw/zinc/26/88/48/171268848.db2.gz MUYWXXXPQVJMBZ-UHFFFAOYSA-N 1 1 288.435 2.658 50 30 CFEAMO N#Cc1c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cn2ccccc12 ZINC000071850385 176276562 /nfs/dbraw/zinc/27/65/62/176276562.db2.gz BSSOBVYIUDQYFX-CQSZACIVSA-N 1 1 295.386 2.812 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000071875202 176284835 /nfs/dbraw/zinc/28/48/35/176284835.db2.gz FLDMKENCBURLDO-QGZVFWFLSA-N 1 1 280.375 2.809 50 30 CFEAMO Cc1cscc1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330234431 228074957 /nfs/dbraw/zinc/07/49/57/228074957.db2.gz GJYCNTUAEGPHKZ-JTQLQIEISA-N 1 1 276.365 2.594 50 30 CFEAMO CCc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)on1 ZINC000195550629 324108169 /nfs/dbraw/zinc/10/81/69/324108169.db2.gz JLELBADANUHMTE-LLVKDONJSA-N 1 1 255.321 2.959 50 30 CFEAMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000007016412 520344565 /nfs/dbraw/zinc/34/45/65/520344565.db2.gz OCNLUTQIOVQTCR-KRWDZBQOSA-N 1 1 287.407 2.563 50 30 CFEAMO N#Cc1ncccc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309697166 526792130 /nfs/dbraw/zinc/79/21/30/526792130.db2.gz FIYWYEUJKKGZGT-MRXNPFEDSA-N 1 1 292.386 2.887 50 30 CFEAMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000097144571 185547553 /nfs/dbraw/zinc/54/75/53/185547553.db2.gz UHENVWXRKBTSDH-LBPRGKRZSA-N 1 1 288.351 2.610 50 30 CFEAMO Cc1ccc(NC[C@@H]2CCN(c3ccc(C#N)cn3)C2)[nH+]c1 ZINC000097200955 185561364 /nfs/dbraw/zinc/56/13/64/185561364.db2.gz PCZMFAFWPRYAKG-HNNXBMFYSA-N 1 1 293.374 2.595 50 30 CFEAMO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000585090155 540461243 /nfs/dbraw/zinc/46/12/43/540461243.db2.gz OPJYJKOGMKSITR-DGAVXFQQSA-N 1 1 252.402 2.528 50 30 CFEAMO C[C@H](CCc1ccccc1)[N@H+]1CCCn2nc(C#N)cc2C1 ZINC000670458619 541001909 /nfs/dbraw/zinc/00/19/09/541001909.db2.gz YQROHYZZDWUZBM-OAHLLOKOSA-N 1 1 294.402 2.982 50 30 CFEAMO C=C(Br)C[NH2+][C@@H](COC)c1ccccc1 ZINC000181678409 189304228 /nfs/dbraw/zinc/30/42/28/189304228.db2.gz XHLAJCONBZAPHP-LBPRGKRZSA-N 1 1 270.170 2.872 50 30 CFEAMO C#C[C@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000002250346 371720704 /nfs/dbraw/zinc/72/07/04/371720704.db2.gz OASDVQSPONGSRY-VBQJREDUSA-N 1 1 271.360 2.576 50 30 CFEAMO N#Cc1ccc(C(=O)c2cccc(C[NH+]3CCC3)c2)cc1 ZINC000002515109 371731438 /nfs/dbraw/zinc/73/14/38/371731438.db2.gz ONKYTWFBAYDGIM-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NC1(C#N)CCCC1 ZINC000024685411 372279844 /nfs/dbraw/zinc/27/98/44/372279844.db2.gz NULKGOGGYJSEQB-CQSZACIVSA-N 1 1 285.391 2.632 50 30 CFEAMO Cc1nn(-c2ccccc2)c(Cn2c[nH+]c(C)c2C)c1C#N ZINC000092857023 375166470 /nfs/dbraw/zinc/16/64/70/375166470.db2.gz SMCZWZPYKPEYKG-UHFFFAOYSA-N 1 1 291.358 2.914 50 30 CFEAMO CCCCCCC=C[N+](O)=N[C@H](COC)[C@H](C)O ZINC000100307386 375618215 /nfs/dbraw/zinc/61/82/15/375618215.db2.gz BCPWSYQGYBTINM-HPGRJLNASA-N 1 1 258.362 2.829 50 30 in-vitro CFEAMO Cc1ccc(NC(=O)CO[NH+]=C(N)CC(C)C)cc1Cl ZINC000048309899 412901476 /nfs/dbraw/zinc/90/14/76/412901476.db2.gz JYTCPFATVLZQCW-UHFFFAOYSA-N 1 1 297.786 2.922 50 30 CFEAMO CC(C)c1[nH+]ccn1C1CN(C(=O)c2cccc(C#N)c2)C1 ZINC000575548884 382773697 /nfs/dbraw/zinc/77/36/97/382773697.db2.gz HPOYURWIDIDHAN-UHFFFAOYSA-N 1 1 294.358 2.575 50 30 CFEAMO C=CCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000225357807 382814592 /nfs/dbraw/zinc/81/45/92/382814592.db2.gz JVPQROAZKXGOAP-GJZGRUSLSA-N 1 1 278.440 2.969 50 30 CFEAMO Cc1[nH+]ccn1CCCNc1ccc(Cl)c(C#N)n1 ZINC000096429578 256788392 /nfs/dbraw/zinc/78/83/92/256788392.db2.gz UUWSJPJXLWQPFO-UHFFFAOYSA-N 1 1 275.743 2.614 50 30 CFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H](C)CC ZINC000036098788 393522004 /nfs/dbraw/zinc/52/20/04/393522004.db2.gz RENDZXRTPNPQAU-AEFFLSMTSA-N 1 1 289.419 2.606 50 30 CFEAMO C=CC[N@H+](CC(=O)N1CCC[C@H](C)C1)C1CCCC1 ZINC000058086806 393622726 /nfs/dbraw/zinc/62/27/26/393622726.db2.gz PBXFSDFSBHBMFF-AWEZNQCLSA-N 1 1 264.413 2.676 50 30 CFEAMO Cc1ccc(C(=[NH2+])NOC(=O)c2cccs2)cc1F ZINC000035583882 172282789 /nfs/dbraw/zinc/28/27/89/172282789.db2.gz BSSKWGVAHFXCBS-UHFFFAOYSA-N 1 1 278.308 2.673 50 30 CFEAMO CCC(N)=[NH+]OCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000040155644 174194792 /nfs/dbraw/zinc/19/47/92/174194792.db2.gz RILGUZBTXRFOCX-UHFFFAOYSA-N 1 1 277.368 2.621 50 30 CFEAMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000071875237 176284970 /nfs/dbraw/zinc/28/49/70/176284970.db2.gz BWQKSVDYOCPNHY-INIZCTEOSA-N 1 1 298.365 2.949 50 30 CFEAMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000071875237 176284971 /nfs/dbraw/zinc/28/49/71/176284971.db2.gz BWQKSVDYOCPNHY-INIZCTEOSA-N 1 1 298.365 2.949 50 30 CFEAMO Cc1[nH+]ccn1CCCNc1ccc(C#N)cc1F ZINC000078333548 177333657 /nfs/dbraw/zinc/33/36/57/177333657.db2.gz JWPVJYGNDJNMSB-UHFFFAOYSA-N 1 1 258.300 2.705 50 30 CFEAMO CCC(CC)(CCC#N)C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000826707928 782027358 /nfs/dbraw/zinc/02/73/58/782027358.db2.gz FSFOZOMUJHBRMD-AWEZNQCLSA-N 1 1 251.418 2.732 50 30 CFEAMO OCC#Cc1csc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000828644581 782101383 /nfs/dbraw/zinc/10/13/83/782101383.db2.gz GKEHXZFFZRUSMQ-QGZVFWFLSA-N 1 1 298.411 2.824 50 30 CFEAMO COc1cccc(C(=[NH2+])NOC(=O)c2ccc(C)cc2C)c1 ZINC000004723541 525758349 /nfs/dbraw/zinc/75/83/49/525758349.db2.gz RUTCPYMDDVXBFF-UHFFFAOYSA-N 1 1 298.342 2.789 50 30 CFEAMO C=C(Cl)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000096483282 526884386 /nfs/dbraw/zinc/88/43/86/526884386.db2.gz AWXIQQFHYJQYAM-UHFFFAOYSA-N 1 1 288.819 2.976 50 30 CFEAMO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000096483271 526884842 /nfs/dbraw/zinc/88/48/42/526884842.db2.gz DGUJDYZDLYOGIU-UHFFFAOYSA-N 1 1 292.810 2.942 50 30 CFEAMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C)COC ZINC000096468500 528765975 /nfs/dbraw/zinc/76/59/75/528765975.db2.gz XPEURCOUFVOHPU-NSHDSACASA-N 1 1 250.317 2.554 50 30 CFEAMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C)COC ZINC000096468500 528765977 /nfs/dbraw/zinc/76/59/77/528765977.db2.gz XPEURCOUFVOHPU-NSHDSACASA-N 1 1 250.317 2.554 50 30 CFEAMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2cccc(F)c2C#N)C1 ZINC000095971012 347699673 /nfs/dbraw/zinc/69/96/73/347699673.db2.gz ATNSTALBRQOFND-DOMZBBRYSA-N 1 1 273.355 2.618 50 30 CFEAMO C(=[NH+]C1=NN(c2ccccc2)CC1)N1CCCCC1 ZINC000245266115 348251436 /nfs/dbraw/zinc/25/14/36/348251436.db2.gz IMZCPOPBLQXPJV-UHFFFAOYSA-N 1 1 256.353 2.724 50 30 CFEAMO Cc1cc(C)c2[nH]c(C[NH+]3CCC(C#N)CC3)cc(=O)c2c1 ZINC000091468972 180165025 /nfs/dbraw/zinc/16/50/25/180165025.db2.gz BSDANLHTXOXJCO-UHFFFAOYSA-N 1 1 295.386 2.881 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@]1(O)C1CC1 ZINC000091625567 180209567 /nfs/dbraw/zinc/20/95/67/180209567.db2.gz DJPBZIQOQLOXIV-DYVFJYSZSA-N 1 1 270.376 2.541 50 30 CFEAMO C=CCc1cc(C[N@@H+]2CCC[C@H](OC)C2)cc(OC)c1O ZINC000091772452 180249097 /nfs/dbraw/zinc/24/90/97/180249097.db2.gz YSCVIJYOMSPGPJ-HNNXBMFYSA-N 1 1 291.391 2.740 50 30 CFEAMO CN1CC[N@@H+](CCCSCC#N)[C@@H](c2ccccc2)C1 ZINC000108136833 186205923 /nfs/dbraw/zinc/20/59/23/186205923.db2.gz ZBUPLRARGSJKSM-MRXNPFEDSA-N 1 1 289.448 2.622 50 30 CFEAMO C[N@@H+]1CCN(CCCSCC#N)[C@@H](c2ccccc2)C1 ZINC000108136833 186205924 /nfs/dbraw/zinc/20/59/24/186205924.db2.gz ZBUPLRARGSJKSM-MRXNPFEDSA-N 1 1 289.448 2.622 50 30 CFEAMO C[N@H+]1CCN(CCCSCC#N)[C@@H](c2ccccc2)C1 ZINC000108136833 186205925 /nfs/dbraw/zinc/20/59/25/186205925.db2.gz ZBUPLRARGSJKSM-MRXNPFEDSA-N 1 1 289.448 2.622 50 30 CFEAMO N#Cc1cccc(C(=O)c2cccc(C[NH+]3CCC3)c2)c1 ZINC000002515108 371731036 /nfs/dbraw/zinc/73/10/36/371731036.db2.gz FZCLWIAUQDOVFB-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO Cc1ccccc1O[C@H](C)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000004833680 371875351 /nfs/dbraw/zinc/87/53/51/371875351.db2.gz CLWBSIVUGMOESR-CYBMUJFWSA-N 1 1 298.342 2.626 50 30 CFEAMO C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccccc1 ZINC000013478172 372030399 /nfs/dbraw/zinc/03/03/99/372030399.db2.gz BHUGEYWWNUWAAY-DDGKQPTKSA-N 1 1 260.337 2.560 50 30 CFEAMO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1C ZINC000016490030 372108526 /nfs/dbraw/zinc/10/85/26/372108526.db2.gz STSLBMIQEBKTIF-KBPBESRZSA-N 1 1 258.365 2.915 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC1CCCCC1 ZINC000032769940 372461029 /nfs/dbraw/zinc/46/10/29/372461029.db2.gz IGBQHMPLSMWDJE-MRXNPFEDSA-N 1 1 279.428 2.553 50 30 CFEAMO O=C(C[NH+]1CCCC1)Nc1nc2ccccc2s1 ZINC000050097567 373351941 /nfs/dbraw/zinc/35/19/41/373351941.db2.gz UXTYDPXDJGCGCJ-UHFFFAOYSA-N 1 1 261.350 2.980 50 30 CFEAMO C=CCn1cc(C[NH2+][C@@H](CCC)c2nccn2C)c(C)n1 ZINC000055196706 373543924 /nfs/dbraw/zinc/54/39/24/373543924.db2.gz BQFRSQXNCRTOSD-HNNXBMFYSA-N 1 1 287.411 2.742 50 30 CFEAMO CC(C)=CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000058087239 373625639 /nfs/dbraw/zinc/62/56/39/373625639.db2.gz DIYKFSLCQXPVGY-UHFFFAOYSA-N 1 1 273.355 2.786 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC000069652211 374083520 /nfs/dbraw/zinc/08/35/20/374083520.db2.gz IBXVPJKNCQICMH-INIZCTEOSA-N 1 1 266.348 2.629 50 30 CFEAMO Cn1cc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC000069652213 374082845 /nfs/dbraw/zinc/08/28/45/374082845.db2.gz IBXVPJKNCQICMH-MRXNPFEDSA-N 1 1 266.348 2.629 50 30 CFEAMO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC000075127325 374459153 /nfs/dbraw/zinc/45/91/53/374459153.db2.gz ZNENIOXSNYNRHU-MRXNPFEDSA-N 1 1 266.348 2.629 50 30 CFEAMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC000075127325 374459161 /nfs/dbraw/zinc/45/91/61/374459161.db2.gz ZNENIOXSNYNRHU-MRXNPFEDSA-N 1 1 266.348 2.629 50 30 CFEAMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000076325278 374547952 /nfs/dbraw/zinc/54/79/52/374547952.db2.gz GLYRTCCVBLPCBX-MNOVXSKESA-N 1 1 262.191 2.520 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(F)c1 ZINC000089768264 374947703 /nfs/dbraw/zinc/94/77/03/374947703.db2.gz KFLMPPKPJLLUBV-OAHLLOKOSA-N 1 1 296.349 2.867 50 30 CFEAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC#N)cc1 ZINC000130347041 377540642 /nfs/dbraw/zinc/54/06/42/377540642.db2.gz CSMPOOAUZFIPFJ-CQSZACIVSA-N 1 1 285.391 2.591 50 30 CFEAMO C[C@@H](C#N)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182019319 380963737 /nfs/dbraw/zinc/96/37/37/380963737.db2.gz OJGVELPMILJLAX-GJZGRUSLSA-N 1 1 263.429 2.875 50 30 CFEAMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1 ZINC000252549440 383420305 /nfs/dbraw/zinc/42/03/05/383420305.db2.gz RFFAENLKMKGDHP-SJORKVTESA-N 1 1 278.359 2.811 50 30 CFEAMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000268433054 384621374 /nfs/dbraw/zinc/62/13/74/384621374.db2.gz DOPMHGXLZZRMDP-AEGPPILISA-N 1 1 281.421 2.837 50 30 CFEAMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000268433054 384621378 /nfs/dbraw/zinc/62/13/78/384621378.db2.gz DOPMHGXLZZRMDP-AEGPPILISA-N 1 1 281.421 2.837 50 30 CFEAMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccccn2)no1 ZINC000012459201 393473904 /nfs/dbraw/zinc/47/39/04/393473904.db2.gz LSVJDCXSDWAFNH-UHFFFAOYSA-N 1 1 258.325 2.530 50 30 CFEAMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccccn2)no1 ZINC000012459201 393473908 /nfs/dbraw/zinc/47/39/08/393473908.db2.gz LSVJDCXSDWAFNH-UHFFFAOYSA-N 1 1 258.325 2.530 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000032830805 393516380 /nfs/dbraw/zinc/51/63/80/393516380.db2.gz XENIWERYMMOVIK-YOEHRIQHSA-N 1 1 287.407 2.561 50 30 CFEAMO C=CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C1CCCC1 ZINC000058086805 393622695 /nfs/dbraw/zinc/62/26/95/393622695.db2.gz PBXFSDFSBHBMFF-CQSZACIVSA-N 1 1 264.413 2.676 50 30 CFEAMO C[NH+](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000020215504 171078020 /nfs/dbraw/zinc/07/80/20/171078020.db2.gz NBHOEGCSNLZGCE-UHFFFAOYSA-N 1 1 261.350 2.960 50 30 CFEAMO N#Cc1ccccc1OCC[N@H+]1CCc2ccccc2C1 ZINC000022385704 171386027 /nfs/dbraw/zinc/38/60/27/171386027.db2.gz VQHRAZZTMKMCLA-UHFFFAOYSA-N 1 1 278.355 2.995 50 30 CFEAMO N#Cc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000046091880 175392704 /nfs/dbraw/zinc/39/27/04/175392704.db2.gz VANRRLDSCAWRBB-OAHLLOKOSA-N 1 1 256.349 2.559 50 30 CFEAMO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000015415642 279141532 /nfs/dbraw/zinc/14/15/32/279141532.db2.gz YDDROYRYVQHJAN-CYBMUJFWSA-N 1 1 251.333 2.937 50 30 CFEAMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000015415642 279141533 /nfs/dbraw/zinc/14/15/33/279141533.db2.gz YDDROYRYVQHJAN-CYBMUJFWSA-N 1 1 251.333 2.937 50 30 CFEAMO C[C@H]([NH2+][C@H](CO)c1ccco1)c1ccc(C#N)cc1 ZINC000096493427 533998735 /nfs/dbraw/zinc/99/87/35/533998735.db2.gz QTOKZPKZDHQKIB-SMDDNHRTSA-N 1 1 256.305 2.535 50 30 CFEAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000069455045 523826109 /nfs/dbraw/zinc/82/61/09/523826109.db2.gz CBSJLXSYVQUNEP-CABCVRRESA-N 1 1 289.423 2.546 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccccc2C)c1 ZINC000004318679 524150425 /nfs/dbraw/zinc/15/04/25/524150425.db2.gz XOHSKDDJWDWMLQ-UHFFFAOYSA-N 1 1 298.342 2.546 50 30 CFEAMO COc1ccccc1NC(=O)ONC(=[NH2+])c1ccccc1 ZINC000005997066 524617139 /nfs/dbraw/zinc/61/71/39/524617139.db2.gz PJFWWQXLEUCIJL-UHFFFAOYSA-N 1 1 285.303 2.564 50 30 CFEAMO [NH2+]=C(NOC(=O)CCC1CCCC1)c1ccccc1 ZINC000005013539 526807062 /nfs/dbraw/zinc/80/70/62/526807062.db2.gz JPBPZIJXUXANRK-UHFFFAOYSA-N 1 1 260.337 2.821 50 30 CFEAMO C=C[C@H]1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000820443847 781869268 /nfs/dbraw/zinc/86/92/68/781869268.db2.gz WLRGKFWYZGDMIG-HNNXBMFYSA-N 1 1 269.388 2.817 50 30 CFEAMO Cc1ccccc1C(=O)ONC(=[NH2+])Cc1cccs1 ZINC000004193269 230368636 /nfs/dbraw/zinc/36/86/36/230368636.db2.gz UFZQAGRTXJPCTD-UHFFFAOYSA-N 1 1 274.345 2.728 50 30 CFEAMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248025476 540251461 /nfs/dbraw/zinc/25/14/61/540251461.db2.gz GPXOLQYRGUENIZ-ARFHVFGLSA-N 1 1 270.376 2.804 50 30 CFEAMO Cc1cc(C)c(C#N)c(N(C)CC[N@@H+](C)C2CCCC2)n1 ZINC000670442821 540996903 /nfs/dbraw/zinc/99/69/03/540996903.db2.gz OUIAHCCOUWYOIL-UHFFFAOYSA-N 1 1 286.423 2.881 50 30 CFEAMO Cc1cc(Nc2n[nH]c([NH+]=CN(C)C)c2C#N)ccc1F ZINC000004025599 371829435 /nfs/dbraw/zinc/82/94/35/371829435.db2.gz HHOBUBPHTQXHKI-CAOOACKPSA-N 1 1 286.314 2.694 50 30 CFEAMO CC(C)(C)CC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004685164 371873104 /nfs/dbraw/zinc/87/31/04/371873104.db2.gz BHIPGJWSNJCBBF-UHFFFAOYSA-N 1 1 268.744 2.940 50 30 CFEAMO Cc1ccccc1O[C@@H](C)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000004833678 371875235 /nfs/dbraw/zinc/87/52/35/371875235.db2.gz CLWBSIVUGMOESR-ZDUSSCGKSA-N 1 1 298.342 2.626 50 30 CFEAMO CC[N@H+]1CCc2c(C#N)c(-n3cccc3)sc2C1 ZINC000006750385 371892344 /nfs/dbraw/zinc/89/23/44/371892344.db2.gz XSYPNQJZJFQQLJ-UHFFFAOYSA-N 1 1 257.362 2.788 50 30 CFEAMO Cc1oc(NC(=O)C[NH+]2CCCCCC2)c(C#N)c1C ZINC000025948570 372309942 /nfs/dbraw/zinc/30/99/42/372309942.db2.gz XGLSFSQTWLXHLU-UHFFFAOYSA-N 1 1 275.352 2.583 50 30 CFEAMO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047272564 373083911 /nfs/dbraw/zinc/08/39/11/373083911.db2.gz RQKPNOYYEWOWLT-LSDHHAIUSA-N 1 1 286.335 2.505 50 30 CFEAMO CC(=O)OCCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055382686 373549863 /nfs/dbraw/zinc/54/98/63/373549863.db2.gz SDVHQAJDMWWMRQ-QGZVFWFLSA-N 1 1 286.375 2.565 50 30 CFEAMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1 ZINC000058184869 373631607 /nfs/dbraw/zinc/63/16/07/373631607.db2.gz MHFMKBIDAIAAHI-UHFFFAOYSA-N 1 1 296.345 2.560 50 30 CFEAMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1 ZINC000058184869 373631611 /nfs/dbraw/zinc/63/16/11/373631611.db2.gz MHFMKBIDAIAAHI-UHFFFAOYSA-N 1 1 296.345 2.560 50 30 CFEAMO CN(CCC#N)C(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000058179944 373631624 /nfs/dbraw/zinc/63/16/24/373631624.db2.gz KXHBICQBWVCERB-KRWDZBQOSA-N 1 1 297.402 2.510 50 30 CFEAMO CC[N@@H+](CC(=O)NC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000058245480 373636564 /nfs/dbraw/zinc/63/65/64/373636564.db2.gz PSWFANWEABQVDA-AWEZNQCLSA-N 1 1 299.418 3.000 50 30 CFEAMO C=CCN1CC[NH+](Cc2cnoc2-c2cccc(C)c2)CC1 ZINC000065288921 373854925 /nfs/dbraw/zinc/85/49/25/373854925.db2.gz MOWRBFJBKBYRDN-UHFFFAOYSA-N 1 1 297.402 2.954 50 30 CFEAMO C=CC[NH+]1CCN(Cc2cnoc2-c2cccc(C)c2)CC1 ZINC000065288921 373854929 /nfs/dbraw/zinc/85/49/29/373854929.db2.gz MOWRBFJBKBYRDN-UHFFFAOYSA-N 1 1 297.402 2.954 50 30 CFEAMO COc1ccccc1C[C@H]1CCC[N@H+](CCC#N)C1 ZINC000066894875 373962606 /nfs/dbraw/zinc/96/26/06/373962606.db2.gz QFFWGNXLIQTGFI-CQSZACIVSA-N 1 1 258.365 2.863 50 30 CFEAMO COc1ccccc1C[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000066894875 373962609 /nfs/dbraw/zinc/96/26/09/373962609.db2.gz QFFWGNXLIQTGFI-CQSZACIVSA-N 1 1 258.365 2.863 50 30 CFEAMO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCSC1 ZINC000089937652 374972497 /nfs/dbraw/zinc/97/24/97/374972497.db2.gz GSFSLIRTPYVCOC-ZDUSSCGKSA-N 1 1 250.342 2.635 50 30 CFEAMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCSC1 ZINC000089937652 374972507 /nfs/dbraw/zinc/97/25/07/374972507.db2.gz GSFSLIRTPYVCOC-ZDUSSCGKSA-N 1 1 250.342 2.635 50 30 CFEAMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ccncc1 ZINC000095999375 375466705 /nfs/dbraw/zinc/46/67/05/375466705.db2.gz DBLOGKWGWFONOX-UHFFFAOYSA-N 1 1 281.359 2.636 50 30 CFEAMO C[N@@H+](CCCC(C)(C)C#N)C1CCC(CO)CC1 ZINC000095442073 375451433 /nfs/dbraw/zinc/45/14/33/375451433.db2.gz PGNSXAGIBLDSDZ-UHFFFAOYSA-N 1 1 252.402 2.799 50 30 CFEAMO CCCC[N@@H+](C)CC1CCN(c2cccnc2C#N)CC1 ZINC000170595685 379125211 /nfs/dbraw/zinc/12/52/11/379125211.db2.gz ZJCATDQWNAOKCU-UHFFFAOYSA-N 1 1 286.423 2.902 50 30 CFEAMO C=CC[N@H+](C[C@@H]1C(C)=CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000249068062 383323314 /nfs/dbraw/zinc/32/33/14/383323314.db2.gz JBSFWONWUVKEQT-HRCADAONSA-N 1 1 297.464 2.654 50 30 CFEAMO N#CCN1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000252498232 383414280 /nfs/dbraw/zinc/41/42/80/383414280.db2.gz UALKFPPCSGABGH-IAGOWNOFSA-N 1 1 269.392 2.639 50 30 CFEAMO C/N=C1\C[C@H](c2ccccc2)[N@@H+](C)[C@@H]2CCCC[C@]12O ZINC000252629861 383423131 /nfs/dbraw/zinc/42/31/31/383423131.db2.gz UOZWQLLTGAELFC-JIUAODPDSA-N 1 1 272.392 2.808 50 30 CFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccsc1)[C@H](C)CC ZINC000036099391 393522602 /nfs/dbraw/zinc/52/26/02/393522602.db2.gz KZMPUOIPNCZFLG-HIFRSBDPSA-N 1 1 283.437 2.912 50 30 CFEAMO [NH2+]=C(NOC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000005059953 170062087 /nfs/dbraw/zinc/06/20/87/170062087.db2.gz ILOHILZTUAIJSX-UHFFFAOYSA-N 1 1 292.697 2.956 50 30 CFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000005936333 170158244 /nfs/dbraw/zinc/15/82/44/170158244.db2.gz XEYJCGJAFIJQDT-OLZOCXBDSA-N 1 1 271.364 2.617 50 30 CFEAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007902817 170306917 /nfs/dbraw/zinc/30/69/17/170306917.db2.gz UFFOXOAXRLCRBC-UHFFFAOYSA-N 1 1 293.370 2.937 50 30 CFEAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007902817 170306919 /nfs/dbraw/zinc/30/69/19/170306919.db2.gz UFFOXOAXRLCRBC-UHFFFAOYSA-N 1 1 293.370 2.937 50 30 CFEAMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000046091879 175393071 /nfs/dbraw/zinc/39/30/71/175393071.db2.gz VANRRLDSCAWRBB-HNNXBMFYSA-N 1 1 256.349 2.559 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cccn2)c(F)c1 ZINC000071875581 176285533 /nfs/dbraw/zinc/28/55/33/176285533.db2.gz UIQNYDNKBXVDNX-OAHLLOKOSA-N 1 1 284.338 2.558 50 30 CFEAMO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000071904362 176295139 /nfs/dbraw/zinc/29/51/39/176295139.db2.gz IPLAWRRXJVWVSL-GOSISDBHSA-N 1 1 296.370 2.732 50 30 CFEAMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000071904362 176295141 /nfs/dbraw/zinc/29/51/41/176295141.db2.gz IPLAWRRXJVWVSL-GOSISDBHSA-N 1 1 296.370 2.732 50 30 CFEAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000072150674 176326790 /nfs/dbraw/zinc/32/67/90/176326790.db2.gz SMBGIDOCRBQSSI-INIZCTEOSA-N 1 1 286.375 2.866 50 30 CFEAMO Oc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000244866560 526343188 /nfs/dbraw/zinc/34/31/88/526343188.db2.gz VYJJTZBKMFTTEX-UHFFFAOYSA-N 1 1 295.386 2.544 50 30 CFEAMO C=CC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000096487666 527577852 /nfs/dbraw/zinc/57/78/52/527577852.db2.gz KKNKQDPQRFKJQR-LBPRGKRZSA-N 1 1 270.170 2.600 50 30 CFEAMO CSC(=N/N=C(\C)c1ccc(F)cc1)/[NH+]=C/N(C)C ZINC000095747976 185025778 /nfs/dbraw/zinc/02/57/78/185025778.db2.gz GDVNIPHACADQSW-GTXXDHONSA-N 1 1 280.372 2.859 50 30 CFEAMO C[N@@H+](CC(=O)Nc1ccccc1C#N)C1CCCCC1 ZINC000007786532 529839074 /nfs/dbraw/zinc/83/90/74/529839074.db2.gz UBALJAMKLGUGJR-UHFFFAOYSA-N 1 1 271.364 2.761 50 30 CFEAMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000098012994 529983797 /nfs/dbraw/zinc/98/37/97/529983797.db2.gz GPXOLQYRGUENIZ-XHSDSOJGSA-N 1 1 270.376 2.804 50 30 CFEAMO CC[C@H]1CN(C(=O)c2ccccc2C#N)CC[N@H+]1C(C)C ZINC000091350621 180137708 /nfs/dbraw/zinc/13/77/08/180137708.db2.gz JLFPFBDRJCDMGJ-HNNXBMFYSA-N 1 1 285.391 2.503 50 30 CFEAMO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc(C#N)c1 ZINC000611393328 351681614 /nfs/dbraw/zinc/68/16/14/351681614.db2.gz CJIBBABWDSAKIO-NEPJUHHUSA-N 1 1 254.337 2.704 50 30 CFEAMO CC[C@@H](c1nnc(Sc2ncccc2C#N)o1)[NH+](C)C ZINC000012521819 371967831 /nfs/dbraw/zinc/96/78/31/371967831.db2.gz FIRHWLCDUJWJFH-JTQLQIEISA-N 1 1 289.364 2.500 50 30 CFEAMO CC[NH+]1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000013522179 372029503 /nfs/dbraw/zinc/02/95/03/372029503.db2.gz JMAMZIYMGUDBDZ-UHFFFAOYSA-N 1 1 283.828 2.895 50 30 CFEAMO C=CCn1c2ccccc2n(C[C@@H](O)C(C)(C)C)c1=[NH2+] ZINC000019771380 372183707 /nfs/dbraw/zinc/18/37/07/372183707.db2.gz UPCOAWBOZPGUJV-CQSZACIVSA-N 1 1 273.380 2.515 50 30 CFEAMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846825 372200933 /nfs/dbraw/zinc/20/09/33/372200933.db2.gz XHBHQNFDTRDWEX-LBPRGKRZSA-N 1 1 259.353 2.617 50 30 CFEAMO COC(=O)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000026324656 372317599 /nfs/dbraw/zinc/31/75/99/372317599.db2.gz KXJKEHOHOVPKMN-UHFFFAOYSA-N 1 1 284.315 2.570 50 30 CFEAMO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000026324656 372317607 /nfs/dbraw/zinc/31/76/07/372317607.db2.gz KXJKEHOHOVPKMN-UHFFFAOYSA-N 1 1 284.315 2.570 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000032830799 372466917 /nfs/dbraw/zinc/46/69/17/372466917.db2.gz XENIWERYMMOVIK-PBHICJAKSA-N 1 1 287.407 2.561 50 30 CFEAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)no1 ZINC000067350445 373976417 /nfs/dbraw/zinc/97/64/17/373976417.db2.gz OPERHSZCWYYBPE-OAHLLOKOSA-N 1 1 282.347 2.629 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cn1 ZINC000069667573 374085714 /nfs/dbraw/zinc/08/57/14/374085714.db2.gz PRFMQQUAIVGTEB-KRWDZBQOSA-N 1 1 296.374 2.508 50 30 CFEAMO CCCCCCC=C[N+](O)=N[C@@H](COC)[C@H](C)O ZINC000100307381 375618204 /nfs/dbraw/zinc/61/82/04/375618204.db2.gz BCPWSYQGYBTINM-MHVRFBIVSA-N 1 1 258.362 2.829 50 30 in-vitro CFEAMO N#Cc1csc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000136855889 378212062 /nfs/dbraw/zinc/21/20/62/378212062.db2.gz ZRQOCAOMIHDPOM-UHFFFAOYSA-N 1 1 290.310 2.509 50 30 CFEAMO Cc1[nH+]ccn1CCCSc1cccnc1C#N ZINC000408523610 380939523 /nfs/dbraw/zinc/93/95/23/380939523.db2.gz UDJGZJMZPPEUGK-UHFFFAOYSA-N 1 1 258.350 2.641 50 30 CFEAMO CC[N@H+](Cc1ccccc1C#N)CC1CCOCC1 ZINC000215647363 382779665 /nfs/dbraw/zinc/77/96/65/382779665.db2.gz IFYCFKVTXMJZDE-UHFFFAOYSA-N 1 1 258.365 2.807 50 30 CFEAMO Cc1ccc(NC[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)nc1 ZINC000222204521 382801554 /nfs/dbraw/zinc/80/15/54/382801554.db2.gz IFLUXMVICZVMDC-CVEARBPZSA-N 1 1 297.406 2.567 50 30 CFEAMO Cc1ccc(NC[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)nc1 ZINC000222204521 382801557 /nfs/dbraw/zinc/80/15/57/382801557.db2.gz IFLUXMVICZVMDC-CVEARBPZSA-N 1 1 297.406 2.567 50 30 CFEAMO C=C1C(=O)O[C@]2(C)C[N@H+](C)[C@@H](c3ccccc3)C[C@@H]12 ZINC000230139057 382855944 /nfs/dbraw/zinc/85/59/44/382855944.db2.gz KWAFPAXUOFTRRO-SQWLQELKSA-N 1 1 257.333 2.551 50 30 CFEAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000585117000 383114868 /nfs/dbraw/zinc/11/48/68/383114868.db2.gz ONLXKGDMQAMUDU-LSDHHAIUSA-N 1 1 291.439 2.697 50 30 CFEAMO C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N\OC(=O)c1ccccc1 ZINC000013478175 393477203 /nfs/dbraw/zinc/47/72/03/393477203.db2.gz BHUGEYWWNUWAAY-AZNAFKMUSA-N 1 1 260.337 2.560 50 30 CFEAMO C=CCC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(C)o1 ZINC000036097860 393522525 /nfs/dbraw/zinc/52/25/25/393522525.db2.gz MSGSRPYKPPWDJL-OAHLLOKOSA-N 1 1 281.396 2.754 50 30 CFEAMO C=CCS[C@@H](C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000071385530 393639170 /nfs/dbraw/zinc/63/91/70/393639170.db2.gz GSWKZICQPXRMRX-AWEZNQCLSA-N 1 1 296.480 2.771 50 30 CFEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000072253981 393650522 /nfs/dbraw/zinc/65/05/22/393650522.db2.gz SXUWURIZFKFDCF-LSDHHAIUSA-N 1 1 285.395 2.617 50 30 CFEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000072253981 393650524 /nfs/dbraw/zinc/65/05/24/393650524.db2.gz SXUWURIZFKFDCF-LSDHHAIUSA-N 1 1 285.395 2.617 50 30 CFEAMO CC[NH+]1CCN(c2oc(-c3ccccc3C)nc2C#N)CC1 ZINC000004993639 170051590 /nfs/dbraw/zinc/05/15/90/170051590.db2.gz NARZOLPYGZABJB-UHFFFAOYSA-N 1 1 296.374 2.664 50 30 CFEAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000006541169 170211571 /nfs/dbraw/zinc/21/15/71/170211571.db2.gz ODFSAIAJMKSMGR-OAHLLOKOSA-N 1 1 271.364 2.761 50 30 CFEAMO C[NH+]1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000008683710 170345594 /nfs/dbraw/zinc/34/55/94/170345594.db2.gz DNAHPFKQGFXFPW-UHFFFAOYSA-N 1 1 269.801 2.505 50 30 CFEAMO C=CCOc1ccccc1OCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020653018 171268724 /nfs/dbraw/zinc/26/87/24/171268724.db2.gz DAEXNWCCHFXITC-GJZGRUSLSA-N 1 1 291.391 2.739 50 30 CFEAMO C=CCOc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020639802 171269132 /nfs/dbraw/zinc/26/91/32/171269132.db2.gz IMQQVRLNIVVRFU-GJZGRUSLSA-N 1 1 291.391 2.739 50 30 CFEAMO C=CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000053316437 175547603 /nfs/dbraw/zinc/54/76/03/175547603.db2.gz QVDNSYLSDTZTBG-UHFFFAOYSA-N 1 1 283.375 2.854 50 30 CFEAMO C=CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000053316437 175547605 /nfs/dbraw/zinc/54/76/05/175547605.db2.gz QVDNSYLSDTZTBG-UHFFFAOYSA-N 1 1 283.375 2.854 50 30 CFEAMO CC(C)(C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058393796 175622554 /nfs/dbraw/zinc/62/25/54/175622554.db2.gz IZUHALLNUGMLAX-MRXNPFEDSA-N 1 1 299.418 2.707 50 30 CFEAMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cccc(C#N)c1 ZINC000078253978 177329006 /nfs/dbraw/zinc/32/90/06/177329006.db2.gz SBBISCZKDNMLGU-OAHLLOKOSA-N 1 1 272.348 2.589 50 30 CFEAMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000222082037 277120502 /nfs/dbraw/zinc/12/05/02/277120502.db2.gz KXMNHQPTVBCXHZ-WDEREUQCSA-N 1 1 278.318 2.704 50 30 CFEAMO C=CCc1cc(OC)ccc1OCCC[NH+]1CCOCC1 ZINC000020118722 527245114 /nfs/dbraw/zinc/24/51/14/527245114.db2.gz UPGLGLJEWMAFRS-UHFFFAOYSA-N 1 1 291.391 2.525 50 30 CFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccsc1)[C@@H](C)CC ZINC000169677983 348051743 /nfs/dbraw/zinc/05/17/43/348051743.db2.gz KZMPUOIPNCZFLG-DZGCQCFKSA-N 1 1 283.437 2.912 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2[nH]nc(C)c2Cl)C1 ZINC000091677407 180225611 /nfs/dbraw/zinc/22/56/11/180225611.db2.gz PZGJADIDZHBFQK-AWEZNQCLSA-N 1 1 283.803 2.522 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2[nH]nc(C)c2Cl)C1 ZINC000091677407 180225614 /nfs/dbraw/zinc/22/56/14/180225614.db2.gz PZGJADIDZHBFQK-AWEZNQCLSA-N 1 1 283.803 2.522 50 30 CFEAMO C[C@H](CC#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980600 540404136 /nfs/dbraw/zinc/40/41/36/540404136.db2.gz BSVCKQNSWGLWKC-KGLIPLIRSA-N 1 1 275.371 2.806 50 30 CFEAMO C#CCn1cc(C[N@@H+](C)Cc2ccc(F)cc2C)cn1 ZINC000092039376 540404549 /nfs/dbraw/zinc/40/45/49/540404549.db2.gz KRGVYIYWORORNV-UHFFFAOYSA-N 1 1 271.339 2.596 50 30 CFEAMO C#CCn1cc(C[N@H+](C)Cc2ccc(F)cc2C)cn1 ZINC000092039376 540404551 /nfs/dbraw/zinc/40/45/51/540404551.db2.gz KRGVYIYWORORNV-UHFFFAOYSA-N 1 1 271.339 2.596 50 30 CFEAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N/OC(=O)c1ccccc1 ZINC000003900689 371824882 /nfs/dbraw/zinc/82/48/82/371824882.db2.gz BHUGEYWWNUWAAY-VVMFYBRISA-N 1 1 260.337 2.560 50 30 CFEAMO [NH2+]=C(NOC(=O)c1ccccc1Cl)c1ccccc1 ZINC000004170067 371837690 /nfs/dbraw/zinc/83/76/90/371837690.db2.gz ATXRRRCIHZTEEH-UHFFFAOYSA-N 1 1 274.707 2.817 50 30 CFEAMO CC[C@H](C)NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013556345 372032290 /nfs/dbraw/zinc/03/22/90/372032290.db2.gz ATHVMPMAUINGHF-AWEZNQCLSA-N 1 1 291.464 2.889 50 30 CFEAMO C=CCOc1ccccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489149 372108515 /nfs/dbraw/zinc/10/85/15/372108515.db2.gz DAEXNWCCHFXITC-GASCZTMLSA-N 1 1 291.391 2.739 50 30 CFEAMO C=CCOc1ccccc1OCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489149 372108521 /nfs/dbraw/zinc/10/85/21/372108521.db2.gz DAEXNWCCHFXITC-GASCZTMLSA-N 1 1 291.391 2.739 50 30 CFEAMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccco1 ZINC000025397277 372299339 /nfs/dbraw/zinc/29/93/39/372299339.db2.gz OBFNFJUHEKAHMO-UHFFFAOYSA-N 1 1 289.360 2.673 50 30 CFEAMO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328152 372318156 /nfs/dbraw/zinc/31/81/56/372318156.db2.gz WWYQGLWEUCWIHJ-OAHLLOKOSA-N 1 1 299.418 2.781 50 30 CFEAMO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328152 372318165 /nfs/dbraw/zinc/31/81/65/372318165.db2.gz WWYQGLWEUCWIHJ-OAHLLOKOSA-N 1 1 299.418 2.781 50 30 CFEAMO C=CCC[C@H](O)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000033916794 372502290 /nfs/dbraw/zinc/50/22/90/372502290.db2.gz LKQAEEZQANXPAS-SFHVURJKSA-N 1 1 288.435 2.521 50 30 CFEAMO C=CCC[C@H](O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000033916794 372502299 /nfs/dbraw/zinc/50/22/99/372502299.db2.gz LKQAEEZQANXPAS-SFHVURJKSA-N 1 1 288.435 2.521 50 30 CFEAMO C=CCC[C@H](O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000033916794 372502304 /nfs/dbraw/zinc/50/23/04/372502304.db2.gz LKQAEEZQANXPAS-SFHVURJKSA-N 1 1 288.435 2.521 50 30 CFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)C(C)C ZINC000036098745 372558737 /nfs/dbraw/zinc/55/87/37/372558737.db2.gz RPMKYBMAAMIZIU-KRWDZBQOSA-N 1 1 277.408 2.769 50 30 CFEAMO C[C@@H](CC#N)[NH2+]Cc1cccc(Br)c1 ZINC000042418959 372921849 /nfs/dbraw/zinc/92/18/49/372921849.db2.gz LRDDANAEXYSUQZ-VIFPVBQESA-N 1 1 253.143 2.841 50 30 CFEAMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccccc1C#N ZINC000055383156 373550132 /nfs/dbraw/zinc/55/01/32/373550132.db2.gz CGZRZVRZVQVGHI-UHFFFAOYSA-N 1 1 282.391 2.950 50 30 CFEAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1C#N ZINC000055383156 373550142 /nfs/dbraw/zinc/55/01/42/373550142.db2.gz CGZRZVRZVQVGHI-UHFFFAOYSA-N 1 1 282.391 2.950 50 30 CFEAMO CC(C)[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1F ZINC000055920423 373560606 /nfs/dbraw/zinc/56/06/06/373560606.db2.gz WQYFBWDMGJNOEC-UHFFFAOYSA-N 1 1 286.354 2.841 50 30 CFEAMO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1F ZINC000055920423 373560614 /nfs/dbraw/zinc/56/06/14/373560614.db2.gz WQYFBWDMGJNOEC-UHFFFAOYSA-N 1 1 286.354 2.841 50 30 CFEAMO N#CCCn1cc(C(=O)C[NH+]2CCCC2)c2ccccc21 ZINC000058247713 373636844 /nfs/dbraw/zinc/63/68/44/373636844.db2.gz PUPREVJDODJLDA-UHFFFAOYSA-N 1 1 281.359 2.833 50 30 CFEAMO C=C(C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000065554258 373887134 /nfs/dbraw/zinc/88/71/34/373887134.db2.gz RMAYRIZTCYSDTF-UHFFFAOYSA-N 1 1 260.381 2.531 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000065452558 373873257 /nfs/dbraw/zinc/87/32/57/373873257.db2.gz XZQLKABVOMPZMG-KRWDZBQOSA-N 1 1 292.386 2.887 50 30 CFEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2Cn2cccn2)c1 ZINC000069950207 374112341 /nfs/dbraw/zinc/11/23/41/374112341.db2.gz LLJPFIFZTXOEKX-HNNXBMFYSA-N 1 1 284.338 2.558 50 30 CFEAMO C=C(C)C[N@H+](CC)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000075551928 374492084 /nfs/dbraw/zinc/49/20/84/374492084.db2.gz JQVVFYNAJLKFBH-UHFFFAOYSA-N 1 1 283.375 2.835 50 30 CFEAMO C=CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076017036 374520707 /nfs/dbraw/zinc/52/07/07/374520707.db2.gz ZKXUPUWORCOJLV-LBPRGKRZSA-N 1 1 254.374 2.552 50 30 CFEAMO CC(C)(CCC#N)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000092483205 375114181 /nfs/dbraw/zinc/11/41/81/375114181.db2.gz YLYGTSJJCOZMQH-UHFFFAOYSA-N 1 1 292.452 2.985 50 30 CFEAMO C(=[NH+]/C1=NN(c2ccccc2)CC1)\N1CCCCC1 ZINC000100059954 375613054 /nfs/dbraw/zinc/61/30/54/375613054.db2.gz IMZCPOPBLQXPJV-DTQAZKPQSA-N 1 1 256.353 2.724 50 30 CFEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]21 ZINC000108498845 375816700 /nfs/dbraw/zinc/81/67/00/375816700.db2.gz VCUYWHZLHSWDKW-BFHYXJOUSA-N 1 1 293.411 2.525 50 30 CFEAMO C=C(Br)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000162210213 378900505 /nfs/dbraw/zinc/90/05/05/378900505.db2.gz WMSPXHQCMCWPKS-SECBINFHSA-N 1 1 256.143 2.951 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000215948559 382781420 /nfs/dbraw/zinc/78/14/20/382781420.db2.gz FCNANJVGYKBAPO-IRXDYDNUSA-N 1 1 270.376 2.685 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000230251069 382857928 /nfs/dbraw/zinc/85/79/28/382857928.db2.gz KDKRRQORUZOKFU-CVEARBPZSA-N 1 1 256.349 2.702 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000036396187 393524254 /nfs/dbraw/zinc/52/42/54/393524254.db2.gz BVTXXRGWIKVJIK-GOSISDBHSA-N 1 1 299.418 2.705 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000036396187 393524257 /nfs/dbraw/zinc/52/42/57/393524257.db2.gz BVTXXRGWIKVJIK-GOSISDBHSA-N 1 1 299.418 2.705 50 30 CFEAMO CN(CCCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078947958 393713941 /nfs/dbraw/zinc/71/39/41/393713941.db2.gz ZQAJPAGZFGCPBC-KRWDZBQOSA-N 1 1 271.408 2.744 50 30 CFEAMO C[C@@H](CO)[N@@H+](Cc1ccccc1C#N)C1CCCC1 ZINC000225570470 393768764 /nfs/dbraw/zinc/76/87/64/393768764.db2.gz HKRWTKXFBJEPPQ-ZDUSSCGKSA-N 1 1 258.365 2.684 50 30 CFEAMO C#C[C@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C ZINC000004011753 169929707 /nfs/dbraw/zinc/92/97/07/169929707.db2.gz OASDVQSPONGSRY-KEYYUXOJSA-N 1 1 271.360 2.576 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccc(F)cc2)c1 ZINC000004907058 170039462 /nfs/dbraw/zinc/03/94/62/170039462.db2.gz CPDHMMUOLBFROW-UHFFFAOYSA-N 1 1 272.279 2.611 50 30 CFEAMO COc1ccc(NC(=[NH2+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000006736427 170236523 /nfs/dbraw/zinc/23/65/23/170236523.db2.gz KGBIHNRIPCXJOB-UHFFFAOYSA-N 1 1 271.276 2.640 50 30 CFEAMO C=CCOc1ccccc1OCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020653012 171268946 /nfs/dbraw/zinc/26/89/46/171268946.db2.gz DAEXNWCCHFXITC-HUUCEWRRSA-N 1 1 291.391 2.739 50 30 CFEAMO C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccs1 ZINC000036096692 172438188 /nfs/dbraw/zinc/43/81/88/172438188.db2.gz BIRPZMXBSMLYTH-HNNXBMFYSA-N 1 1 295.448 2.607 50 30 CFEAMO C[N@H+]1CCc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2C1 ZINC000018240937 277188048 /nfs/dbraw/zinc/18/80/48/277188048.db2.gz RADZGZWPFJMKLG-UHFFFAOYSA-N 1 1 298.777 2.844 50 30 CFEAMO Cc1n[nH]c(C)c1[NH+]=C([O-])Nc1c(C)c[nH+]c2ccccc21 ZINC000328595949 279055506 /nfs/dbraw/zinc/05/55/06/279055506.db2.gz LIZZHBDMHPWKJL-UHFFFAOYSA-N 1 1 295.346 2.963 50 30 CFEAMO OCC#Cc1csc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000828644580 782101025 /nfs/dbraw/zinc/10/10/25/782101025.db2.gz GKEHXZFFZRUSMQ-KRWDZBQOSA-N 1 1 298.411 2.824 50 30 CFEAMO C=C(C)[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231620 518645332 /nfs/dbraw/zinc/64/53/32/518645332.db2.gz ABKDBHRAGTZDQX-MSOLQXFVSA-N 1 1 284.403 2.939 50 30 CFEAMO C=C(C)[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055231620 518645327 /nfs/dbraw/zinc/64/53/27/518645327.db2.gz ABKDBHRAGTZDQX-MSOLQXFVSA-N 1 1 284.403 2.939 50 30 CFEAMO Cc1cccc(OCC(=O)ONC(=[NH2+])c2cccc(C)c2)c1 ZINC000006884472 524721676 /nfs/dbraw/zinc/72/16/76/524721676.db2.gz LNXWJRQDQGVCRN-UHFFFAOYSA-N 1 1 298.342 2.546 50 30 CFEAMO C#CC[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1 ZINC000096490000 526903995 /nfs/dbraw/zinc/90/39/95/526903995.db2.gz BEZNBYGICQHAPT-UHFFFAOYSA-N 1 1 269.344 2.716 50 30 CFEAMO C#CC[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1 ZINC000096490000 526904001 /nfs/dbraw/zinc/90/40/01/526904001.db2.gz BEZNBYGICQHAPT-UHFFFAOYSA-N 1 1 269.344 2.716 50 30 CFEAMO C=CCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000097162990 527327918 /nfs/dbraw/zinc/32/79/18/527327918.db2.gz OBXVABOTWKRJBL-HNNXBMFYSA-N 1 1 259.349 2.536 50 30 CFEAMO C=CCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000097162990 527327923 /nfs/dbraw/zinc/32/79/23/527327923.db2.gz OBXVABOTWKRJBL-HNNXBMFYSA-N 1 1 259.349 2.536 50 30 CFEAMO C=CCOc1ccccc1C[N@@H+](C)C1CCN(C)CC1 ZINC000002498106 618172731 /nfs/dbraw/zinc/17/27/31/618172731.db2.gz IUMOSMMWKSKVRV-UHFFFAOYSA-N 1 1 274.408 2.777 50 30 CFEAMO C=CCOc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC000002498106 618172733 /nfs/dbraw/zinc/17/27/33/618172733.db2.gz IUMOSMMWKSKVRV-UHFFFAOYSA-N 1 1 274.408 2.777 50 30 CFEAMO C=CCn1ncc(C[N@H+]2CCc3ccccc3C2)c1C ZINC000820505271 781868471 /nfs/dbraw/zinc/86/84/71/781868471.db2.gz KVIHKPHVZSIZMF-UHFFFAOYSA-N 1 1 267.376 2.936 50 30 CFEAMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccn1C ZINC000611393331 351681042 /nfs/dbraw/zinc/68/10/42/351681042.db2.gz CJIBBABWDSAKIO-RYUDHWBXSA-N 1 1 254.337 2.704 50 30 CFEAMO COc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)n(C)c1C)C2 ZINC000670451537 540999250 /nfs/dbraw/zinc/99/92/50/540999250.db2.gz CLEZEPZUYSPMRI-UHFFFAOYSA-N 1 1 295.386 2.772 50 30 CFEAMO COc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)n(C)c1C)C2 ZINC000670451537 540999253 /nfs/dbraw/zinc/99/92/53/540999253.db2.gz CLEZEPZUYSPMRI-UHFFFAOYSA-N 1 1 295.386 2.772 50 30 CFEAMO Cc1ccc([C@@H](C)CC[N@H+]2CCn3nc(C#N)cc3C2)o1 ZINC000670453152 541000482 /nfs/dbraw/zinc/00/04/82/541000482.db2.gz LGKLJBFDAADXGL-LBPRGKRZSA-N 1 1 284.363 2.666 50 30 CFEAMO CC(C)c1ccc(C#N)c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000670466686 541006460 /nfs/dbraw/zinc/00/64/60/541006460.db2.gz PRCUUIFLPVYNLX-AWEZNQCLSA-N 1 1 272.396 2.607 50 30 CFEAMO N#Cc1cccc(C(=O)c2ccccc2C[NH+]2CCC2)c1 ZINC000002515602 371731197 /nfs/dbraw/zinc/73/11/97/371731197.db2.gz GFNLRXHOCPIEPJ-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO O=C(ONC1=[NH+]CCCCC1)c1ccc(Cl)cc1 ZINC000003164067 371777605 /nfs/dbraw/zinc/77/76/05/371777605.db2.gz LMEPYNNZHODNKD-UHFFFAOYSA-N 1 1 266.728 2.974 50 30 CFEAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000003564862 371809946 /nfs/dbraw/zinc/80/99/46/371809946.db2.gz PBBJKQWIPUSHPX-LLVKDONJSA-N 1 1 291.782 2.882 50 30 CFEAMO C#C[C@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000004011752 371827488 /nfs/dbraw/zinc/82/74/88/371827488.db2.gz OASDVQSPONGSRY-CPUCHLNUSA-N 1 1 271.360 2.576 50 30 CFEAMO NC([NH2+]Nc1ccccc1)=C(S)N=Nc1ccccc1 ZINC000004293434 371847181 /nfs/dbraw/zinc/84/71/81/371847181.db2.gz JDRZNICJUFEHHZ-UHFFFAOYSA-N 1 1 285.376 2.726 50 30 CFEAMO CC(=O)c1ccc(N=C2NC(=[NH2+])c3ccccc32)cc1 ZINC000018044297 372138878 /nfs/dbraw/zinc/13/88/78/372138878.db2.gz LULWRIGCPOCYJI-UHFFFAOYSA-N 1 1 263.300 2.686 50 30 CFEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NC2(C#N)CCCCCC2)C1 ZINC000022841602 372246766 /nfs/dbraw/zinc/24/67/66/372246766.db2.gz HRJWPBSNQMZIQH-GASCZTMLSA-N 1 1 291.439 2.697 50 30 CFEAMO C=CCOC[C@@H](O)C[N@H+](CCC)Cc1ccsc1 ZINC000036099497 372558137 /nfs/dbraw/zinc/55/81/37/372558137.db2.gz SQBCBWVQPMSIFA-AWEZNQCLSA-N 1 1 269.410 2.524 50 30 CFEAMO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000042220669 372888453 /nfs/dbraw/zinc/88/84/53/372888453.db2.gz JHPOMPDJWLXTEN-QWRGUYRKSA-N 1 1 266.772 2.681 50 30 CFEAMO Cc1ccc(NC(=O)C[NH2+]CC#Cc2ccccc2)cc1 ZINC000057291998 373586132 /nfs/dbraw/zinc/58/61/32/373586132.db2.gz SRGFAJWCUXETFW-UHFFFAOYSA-N 1 1 278.355 2.575 50 30 CFEAMO Cc1sc(NC(N)=[NH2+])nc1-c1cc(C)ccc1C ZINC000058666738 373665367 /nfs/dbraw/zinc/66/53/67/373665367.db2.gz SYRRKPZGLKEOET-UHFFFAOYSA-N 1 1 260.366 2.640 50 30 CFEAMO C#CC[N@@H+](CCOc1ccccc1)Cc1cccc(C)n1 ZINC000072305019 374244504 /nfs/dbraw/zinc/24/45/04/374244504.db2.gz SKRZJVAVWQEQTG-UHFFFAOYSA-N 1 1 280.371 2.904 50 30 CFEAMO C#CC[N@H+](CCOc1ccccc1)Cc1cccc(C)n1 ZINC000072305019 374244508 /nfs/dbraw/zinc/24/45/08/374244508.db2.gz SKRZJVAVWQEQTG-UHFFFAOYSA-N 1 1 280.371 2.904 50 30 CFEAMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCSC1 ZINC000089937634 374972954 /nfs/dbraw/zinc/97/29/54/374972954.db2.gz HAQLTPOWHQKFSC-GFCCVEGCSA-N 1 1 250.342 2.635 50 30 CFEAMO C=C(Br)C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000095432272 375446647 /nfs/dbraw/zinc/44/66/47/375446647.db2.gz AVTRFMLCBXOZMX-UHFFFAOYSA-N 1 1 297.196 2.902 50 30 CFEAMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000332219458 378737260 /nfs/dbraw/zinc/73/72/60/378737260.db2.gz VJMFXDGBCYADST-IAQYHMDHSA-N 1 1 282.347 2.800 50 30 CFEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1ccccc1 ZINC000019372221 184534482 /nfs/dbraw/zinc/53/44/82/184534482.db2.gz UOBZLUUOGDBSRF-XDJHFCHBSA-N 1 1 279.387 2.838 50 30 CFEAMO C=CC[N@H+](C[C@@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000191056532 382689683 /nfs/dbraw/zinc/68/96/83/382689683.db2.gz JBSFWONWUVKEQT-ARFHVFGLSA-N 1 1 297.464 2.654 50 30 CFEAMO CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cccc(C#N)c1 ZINC000215174400 382778089 /nfs/dbraw/zinc/77/80/89/382778089.db2.gz QBGPEGAKACVHPB-UHFFFAOYSA-N 1 1 282.391 2.931 50 30 CFEAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000585116997 383115353 /nfs/dbraw/zinc/11/53/53/383115353.db2.gz ONLXKGDMQAMUDU-CABCVRRESA-N 1 1 291.439 2.697 50 30 CFEAMO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)c(O)c1 ZINC000521398323 383294947 /nfs/dbraw/zinc/29/49/47/383294947.db2.gz NJASXNVYQZUGSI-UHFFFAOYSA-N 1 1 294.354 2.763 50 30 CFEAMO C#CCOC[C@@H](O)C[N@H+](CCC)Cc1cc(C)ccc1C ZINC000036097454 393521966 /nfs/dbraw/zinc/52/19/66/393521966.db2.gz ZEXOYEOJOMSACQ-SFHVURJKSA-N 1 1 289.419 2.526 50 30 CFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1cc(C)ccc1C)C(C)C ZINC000036103879 393522489 /nfs/dbraw/zinc/52/24/89/393522489.db2.gz WBJGAQHTGYWAKJ-SFHVURJKSA-N 1 1 289.419 2.525 50 30 CFEAMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC#N)C1 ZINC000071905290 393641229 /nfs/dbraw/zinc/64/12/29/393641229.db2.gz YLWDVPGPBVQFKC-JKSUJKDBSA-N 1 1 263.429 2.877 50 30 CFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccsc1)[C@H](C)CC ZINC000104974012 397596500 /nfs/dbraw/zinc/59/65/00/397596500.db2.gz KZMPUOIPNCZFLG-UKRRQHHQSA-N 1 1 283.437 2.912 50 30 CFEAMO N#Cc1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040160631 174196452 /nfs/dbraw/zinc/19/64/52/174196452.db2.gz RJMVNNKRPIZOPB-MRXNPFEDSA-N 1 1 278.359 2.640 50 30 CFEAMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cn1 ZINC000071799194 176265466 /nfs/dbraw/zinc/26/54/66/176265466.db2.gz NMTAFWZXDQVWGT-MRXNPFEDSA-N 1 1 266.348 2.629 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cccn2)c(F)c1 ZINC000071875580 176285840 /nfs/dbraw/zinc/28/58/40/176285840.db2.gz UIQNYDNKBXVDNX-HNNXBMFYSA-N 1 1 284.338 2.558 50 30 CFEAMO C#CCOc1cccc(NC(=O)CCCn2cc[nH+]c2C)c1 ZINC000071888334 176290422 /nfs/dbraw/zinc/29/04/22/176290422.db2.gz KRSIJUGYKRVZAG-UHFFFAOYSA-N 1 1 297.358 2.622 50 30 CFEAMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000077323476 177252426 /nfs/dbraw/zinc/25/24/26/177252426.db2.gz WXUDWGHHYMBYQR-UHFFFAOYSA-N 1 1 258.365 2.948 50 30 CFEAMO C[C@@H]1C/C(=N/OC(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000003900691 274281880 /nfs/dbraw/zinc/28/18/80/274281880.db2.gz BHUGEYWWNUWAAY-LQTLPLJTSA-N 1 1 260.337 2.560 50 30 CFEAMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000015415639 280133734 /nfs/dbraw/zinc/13/37/34/280133734.db2.gz YDDROYRYVQHJAN-ZDUSSCGKSA-N 1 1 251.333 2.937 50 30 CFEAMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000015415639 280133737 /nfs/dbraw/zinc/13/37/37/280133737.db2.gz YDDROYRYVQHJAN-ZDUSSCGKSA-N 1 1 251.333 2.937 50 30 CFEAMO C=CCn1cc(CN(C)CC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000055060606 519276241 /nfs/dbraw/zinc/27/62/41/519276241.db2.gz LBGQTCSVEPUDCD-HNNXBMFYSA-N 1 1 290.455 2.684 50 30 CFEAMO CC[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055232016 523660102 /nfs/dbraw/zinc/66/01/02/523660102.db2.gz PBBIQOCFTHAXMX-IAGOWNOFSA-N 1 1 272.392 2.773 50 30 CFEAMO CC[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055232016 523660110 /nfs/dbraw/zinc/66/01/10/523660110.db2.gz PBBIQOCFTHAXMX-IAGOWNOFSA-N 1 1 272.392 2.773 50 30 CFEAMO C=C(C)CN(CC)C(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000065423449 775286426 /nfs/dbraw/zinc/28/64/26/775286426.db2.gz PCHTTWDKRRYQIZ-CQSZACIVSA-N 1 1 252.402 2.533 50 30 CFEAMO C=C[C@@H]1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)C1 ZINC000820443848 781868506 /nfs/dbraw/zinc/86/85/06/781868506.db2.gz WLRGKFWYZGDMIG-OAHLLOKOSA-N 1 1 269.388 2.817 50 30 CFEAMO N#CC1(c2nc([C@H]3CCCCC[NH2+]3)no2)CCCCC1 ZINC000096001564 347699609 /nfs/dbraw/zinc/69/96/09/347699609.db2.gz PPBCCEIKIDSLFE-GFCCVEGCSA-N 1 1 274.368 3.000 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@]1(O)C1CCC1 ZINC000091270267 180118275 /nfs/dbraw/zinc/11/82/75/180118275.db2.gz HBAIMSDIIYZQEN-DYVFJYSZSA-N 1 1 270.376 2.541 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2snnc2C(C)C)C1 ZINC000091755116 180246695 /nfs/dbraw/zinc/24/66/95/180246695.db2.gz AILRBGQPECNRHO-HNNXBMFYSA-N 1 1 295.452 2.812 50 30 CFEAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 ZINC000091724287 180241880 /nfs/dbraw/zinc/24/18/80/180241880.db2.gz CBICAAXPFUWHHE-NVXWUHKLSA-N 1 1 297.402 2.505 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000091943976 180290709 /nfs/dbraw/zinc/29/07/09/180290709.db2.gz PEWXYNKMMBTIGW-QGZVFWFLSA-N 1 1 270.376 2.709 50 30 CFEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000106908520 186149773 /nfs/dbraw/zinc/14/97/73/186149773.db2.gz SXUWURIZFKFDCF-HUUCEWRRSA-N 1 1 285.395 2.617 50 30 CFEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000106908520 186149774 /nfs/dbraw/zinc/14/97/74/186149774.db2.gz SXUWURIZFKFDCF-HUUCEWRRSA-N 1 1 285.395 2.617 50 30 CFEAMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248025480 540251534 /nfs/dbraw/zinc/25/15/34/540251534.db2.gz GPXOLQYRGUENIZ-BZUAXINKSA-N 1 1 270.376 2.804 50 30 CFEAMO Cc1nc(C(F)(F)F)ncc1C[NH+]1CCC(C)(C#N)CC1 ZINC000670447605 540997739 /nfs/dbraw/zinc/99/77/39/540997739.db2.gz ZKYKOEZBWLQSHS-UHFFFAOYSA-N 1 1 298.312 2.930 50 30 CFEAMO CC(C)c1ccc(C#N)c(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000670466687 541006601 /nfs/dbraw/zinc/00/66/01/541006601.db2.gz PRCUUIFLPVYNLX-CQSZACIVSA-N 1 1 272.396 2.607 50 30 CFEAMO CCn1cc(C[N@@H+](C)CCC2(O)CCCC2)cc1C#N ZINC000670473473 541011731 /nfs/dbraw/zinc/01/17/31/541011731.db2.gz GTWNXMHIDYIBIP-UHFFFAOYSA-N 1 1 275.396 2.507 50 30 CFEAMO CC[C@]1(C)C[C@]2(CCC[N@H+](CC#CCN(C)C)C2)CCO1 ZINC000004023337 371829557 /nfs/dbraw/zinc/82/95/57/371829557.db2.gz YSTCJAQWGIWABF-MSOLQXFVSA-N 1 1 292.467 2.613 50 30 CFEAMO CC[C@]1(C)C[C@]2(CCC[N@@H+](CC#CCN(C)C)C2)CCO1 ZINC000004023337 371829560 /nfs/dbraw/zinc/82/95/60/371829560.db2.gz YSTCJAQWGIWABF-MSOLQXFVSA-N 1 1 292.467 2.613 50 30 CFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000003445267 371800652 /nfs/dbraw/zinc/80/06/52/371800652.db2.gz XEYJCGJAFIJQDT-CHWSQXEVSA-N 1 1 271.364 2.617 50 30 CFEAMO [NH2+]=C(NOC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000004191401 371840610 /nfs/dbraw/zinc/84/06/10/371840610.db2.gz WPXKIPIKKGIUKX-UHFFFAOYSA-N 1 1 292.697 2.956 50 30 CFEAMO Oc1cccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019771323 372184214 /nfs/dbraw/zinc/18/42/14/372184214.db2.gz SREMFPMVDNDRHG-XMHGGMMESA-N 1 1 295.386 2.544 50 30 CFEAMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846826 372200951 /nfs/dbraw/zinc/20/09/51/372200951.db2.gz XHBHQNFDTRDWEX-GFCCVEGCSA-N 1 1 259.353 2.617 50 30 CFEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccn3)CC2)cc1 ZINC000019879142 372202585 /nfs/dbraw/zinc/20/25/85/372202585.db2.gz VVNOZFOFYVATOF-XSFVSMFZSA-N 1 1 294.402 2.542 50 30 CFEAMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000040049991 372779718 /nfs/dbraw/zinc/77/97/18/372779718.db2.gz LZWYZUZFAWTSCC-KRWDZBQOSA-N 1 1 284.403 2.806 50 30 CFEAMO C[N@H+](CC(=O)Nc1nncs1)[C@@H]1CCc2ccccc21 ZINC000045810576 373035225 /nfs/dbraw/zinc/03/52/25/373035225.db2.gz CHSPQRSZXYMFPG-GFCCVEGCSA-N 1 1 288.376 2.745 50 30 CFEAMO C[N@@H+](CC(=O)Nc1nncs1)[C@@H]1CCc2ccccc21 ZINC000045810576 373035232 /nfs/dbraw/zinc/03/52/32/373035232.db2.gz CHSPQRSZXYMFPG-GFCCVEGCSA-N 1 1 288.376 2.745 50 30 CFEAMO CC[N@@H+](CC(=O)NC1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000058245481 373636441 /nfs/dbraw/zinc/63/64/41/373636441.db2.gz PSWFANWEABQVDA-CQSZACIVSA-N 1 1 299.418 3.000 50 30 CFEAMO C=CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480449 373822542 /nfs/dbraw/zinc/82/25/42/373822542.db2.gz GUDCNVUCNIOTSG-UHFFFAOYSA-N 1 1 278.783 2.674 50 30 CFEAMO C[C@@H](CC#N)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831277 373956965 /nfs/dbraw/zinc/95/69/65/373956965.db2.gz OUUJVLSPNHKJFD-ZDUSSCGKSA-N 1 1 295.390 2.953 50 30 CFEAMO N#CCN1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069419042 374061962 /nfs/dbraw/zinc/06/19/62/374061962.db2.gz UALKFPPCSGABGH-IRXDYDNUSA-N 1 1 269.392 2.639 50 30 CFEAMO N#Cc1cc(C[N@H+]2CCCSCC2)ccc1F ZINC000089983527 374982455 /nfs/dbraw/zinc/98/24/55/374982455.db2.gz XSQNUVUAOSYEDE-UHFFFAOYSA-N 1 1 250.342 2.636 50 30 CFEAMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000097144568 375530158 /nfs/dbraw/zinc/53/01/58/375530158.db2.gz UHENVWXRKBTSDH-GFCCVEGCSA-N 1 1 288.351 2.610 50 30 CFEAMO CC[N@H+]1CCCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000096453672 375487679 /nfs/dbraw/zinc/48/76/79/375487679.db2.gz HISKJWYRDHUFOW-UHFFFAOYSA-N 1 1 280.375 2.638 50 30 CFEAMO C[C@H](c1ccsc1)[NH+]1CCN(CCCC#N)CC1 ZINC000097378926 375556407 /nfs/dbraw/zinc/55/64/07/375556407.db2.gz UYGWJOHQFJBBOE-CYBMUJFWSA-N 1 1 263.410 2.730 50 30 CFEAMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCOC1 ZINC000104194860 375772915 /nfs/dbraw/zinc/77/29/15/375772915.db2.gz HSEPXWMBNBEYRU-CYBMUJFWSA-N 1 1 262.328 2.556 50 30 CFEAMO CC(C)[N@@H+](C)CC1CCN(c2ncccc2C#N)CC1 ZINC000048571440 412910033 /nfs/dbraw/zinc/91/00/33/412910033.db2.gz XUYIMGJLJNFRRY-UHFFFAOYSA-N 1 1 272.396 2.510 50 30 CFEAMO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CCCC#N ZINC000191618423 382701551 /nfs/dbraw/zinc/70/15/51/382701551.db2.gz FRBMXCMIWQILKM-CYBMUJFWSA-N 1 1 261.344 2.640 50 30 CFEAMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCCC#N ZINC000191618423 382701552 /nfs/dbraw/zinc/70/15/52/382701552.db2.gz FRBMXCMIWQILKM-CYBMUJFWSA-N 1 1 261.344 2.640 50 30 CFEAMO O=C1C[C@H](c2ccco2)CC2=[NH+][C@H]3CCCC[C@H]3NC=C12 ZINC000239284829 382981254 /nfs/dbraw/zinc/98/12/54/382981254.db2.gz CBZHXTFUQISHNY-BNOWGMLFSA-N 1 1 284.359 2.965 50 30 CFEAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000248090430 383210444 /nfs/dbraw/zinc/21/04/44/383210444.db2.gz CBSJLXSYVQUNEP-HUUCEWRRSA-N 1 1 289.423 2.546 50 30 CFEAMO O=C1C[C@H](c2ccco2)CC2=[NH+][C@@H]3CCCC[C@@H]3NC=C12 ZINC000005201060 296350011 /nfs/dbraw/zinc/35/00/11/296350011.db2.gz CBZHXTFUQISHNY-KWCYVHTRSA-N 1 1 284.359 2.965 50 30 CFEAMO C=CCn1cc(C[NH2+][C@H](CCC)c2nccn2C)c(C)n1 ZINC000055196713 393620626 /nfs/dbraw/zinc/62/06/26/393620626.db2.gz BQFRSQXNCRTOSD-OAHLLOKOSA-N 1 1 287.411 2.742 50 30 CFEAMO CCn1cc[nH+]c1[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000091603213 135072059 /nfs/dbraw/zinc/07/20/59/135072059.db2.gz KBTCFOKPXMTILZ-HNNXBMFYSA-N 1 1 295.390 2.862 50 30 CFEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004992212 170051297 /nfs/dbraw/zinc/05/12/97/170051297.db2.gz WZDUCENGLLWTMQ-UHFFFAOYSA-N 1 1 274.707 2.817 50 30 CFEAMO C#C[C@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000005730026 170134630 /nfs/dbraw/zinc/13/46/30/170134630.db2.gz OASDVQSPONGSRY-ZQIUZPCESA-N 1 1 271.360 2.576 50 30 CFEAMO C[NH+]=C(Nc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000035728638 172380872 /nfs/dbraw/zinc/38/08/72/172380872.db2.gz DCQCUCKRQHUYJU-UHFFFAOYSA-N 1 1 268.316 2.771 50 30 CFEAMO COc1ccc([C@H](CO)[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000071904361 176295044 /nfs/dbraw/zinc/29/50/44/176295044.db2.gz IPLAWRRXJVWVSL-SFHVURJKSA-N 1 1 296.370 2.732 50 30 CFEAMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000071904361 176295045 /nfs/dbraw/zinc/29/50/45/176295045.db2.gz IPLAWRRXJVWVSL-SFHVURJKSA-N 1 1 296.370 2.732 50 30 CFEAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cccc(F)c2C#N)C1 ZINC000269073291 277156343 /nfs/dbraw/zinc/15/63/43/277156343.db2.gz ATNSTALBRQOFND-SWLSCSKDSA-N 1 1 273.355 2.618 50 30 CFEAMO CC#CC[N@@H+]1CC=C(c2cnn(CCCC)c2)CC1 ZINC000067559460 519341803 /nfs/dbraw/zinc/34/18/03/519341803.db2.gz FBKOSGAPBHGIOM-UHFFFAOYSA-N 1 1 257.381 2.796 50 30 CFEAMO C=CCc1ccccc1OCCCCN1CC[NH+](C)CC1 ZINC000020118358 527261188 /nfs/dbraw/zinc/26/11/88/527261188.db2.gz BGWPDDRGKBWGMM-UHFFFAOYSA-N 1 1 288.435 2.822 50 30 CFEAMO CC[C@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000248167158 535842326 /nfs/dbraw/zinc/84/23/26/535842326.db2.gz PBBIQOCFTHAXMX-IRXDYDNUSA-N 1 1 272.392 2.773 50 30 CFEAMO CC[C@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248167158 535842330 /nfs/dbraw/zinc/84/23/30/535842330.db2.gz PBBIQOCFTHAXMX-IRXDYDNUSA-N 1 1 272.392 2.773 50 30 CFEAMO Cc1ccc(NC[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000097203786 347706761 /nfs/dbraw/zinc/70/67/61/347706761.db2.gz IFLUXMVICZVMDC-JKSUJKDBSA-N 1 1 297.406 2.567 50 30 CFEAMO Cc1ccc(NC[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000097203786 347706762 /nfs/dbraw/zinc/70/67/62/347706762.db2.gz IFLUXMVICZVMDC-JKSUJKDBSA-N 1 1 297.406 2.567 50 30 CFEAMO C[N@@H+]1CCc2c(c(C#N)c(=S)[nH]c2-c2ccsc2)C1 ZINC000006857599 283171507 /nfs/dbraw/zinc/17/15/07/283171507.db2.gz RZSFAZUJRQGZBI-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO C[N@H+]1CCc2c(c(C#N)c(=S)[nH]c2-c2ccsc2)C1 ZINC000006857599 283171508 /nfs/dbraw/zinc/17/15/08/283171508.db2.gz RZSFAZUJRQGZBI-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO C[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000003251821 371784846 /nfs/dbraw/zinc/78/48/46/371784846.db2.gz QCGVLPDIXKNXFL-UHFFFAOYSA-N 1 1 277.393 2.823 50 30 CFEAMO C[C@H]1CCCC[N@H+]1CCCNc1ncccc1C#N ZINC000019473311 372166872 /nfs/dbraw/zinc/16/68/72/372166872.db2.gz PSWUTASHJLYUEA-ZDUSSCGKSA-N 1 1 258.369 2.630 50 30 CFEAMO C=CCOc1ccc(CNCC[NH+](CC)CC)cc1 ZINC000020089706 372228446 /nfs/dbraw/zinc/22/84/46/372228446.db2.gz PFZRMEYOBNCXLI-UHFFFAOYSA-N 1 1 262.397 2.683 50 30 CFEAMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000032753425 372458808 /nfs/dbraw/zinc/45/88/08/372458808.db2.gz CWFGXULPIVTNEJ-UHFFFAOYSA-N 1 1 252.745 2.786 50 30 CFEAMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000032753425 372458813 /nfs/dbraw/zinc/45/88/13/372458813.db2.gz CWFGXULPIVTNEJ-UHFFFAOYSA-N 1 1 252.745 2.786 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000032830802 372466479 /nfs/dbraw/zinc/46/64/79/372466479.db2.gz XENIWERYMMOVIK-RHSMWYFYSA-N 1 1 287.407 2.561 50 30 CFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccsc1)[C@@H](C)CC ZINC000036099392 372558059 /nfs/dbraw/zinc/55/80/59/372558059.db2.gz KZMPUOIPNCZFLG-ZFWWWQNUSA-N 1 1 283.437 2.912 50 30 CFEAMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000042220671 372888167 /nfs/dbraw/zinc/88/81/67/372888167.db2.gz JHPOMPDJWLXTEN-WDEREUQCSA-N 1 1 266.772 2.681 50 30 CFEAMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000048343793 373165264 /nfs/dbraw/zinc/16/52/64/373165264.db2.gz SCDUWBUBMYEKGK-UHFFFAOYSA-N 1 1 280.371 2.974 50 30 CFEAMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000048368018 373170605 /nfs/dbraw/zinc/17/06/05/373170605.db2.gz YTMXEBHAZYYGGI-UHFFFAOYSA-N 1 1 260.381 2.543 50 30 CFEAMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000048368018 373170611 /nfs/dbraw/zinc/17/06/11/373170611.db2.gz YTMXEBHAZYYGGI-UHFFFAOYSA-N 1 1 260.381 2.543 50 30 CFEAMO CC[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1C ZINC000048573305 373202241 /nfs/dbraw/zinc/20/22/41/373202241.db2.gz ZSULRFUVBAZVOY-UHFFFAOYSA-N 1 1 290.392 2.957 50 30 CFEAMO CC[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1C ZINC000048573305 373202248 /nfs/dbraw/zinc/20/22/48/373202248.db2.gz ZSULRFUVBAZVOY-UHFFFAOYSA-N 1 1 290.392 2.957 50 30 CFEAMO N#CCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053095906 373462346 /nfs/dbraw/zinc/46/23/46/373462346.db2.gz WGHFYWMPZFDFND-AWEZNQCLSA-N 1 1 272.348 2.898 50 30 CFEAMO CCc1n[nH]c(C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000065287350 373852322 /nfs/dbraw/zinc/85/23/22/373852322.db2.gz GXTIKYUEVKCRQJ-UHFFFAOYSA-N 1 1 295.390 2.618 50 30 CFEAMO CCc1nc(C2CC[NH+](Cc3cccc(C#N)c3)CC2)n[nH]1 ZINC000065287350 373852329 /nfs/dbraw/zinc/85/23/29/373852329.db2.gz GXTIKYUEVKCRQJ-UHFFFAOYSA-N 1 1 295.390 2.618 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069770302 374096286 /nfs/dbraw/zinc/09/62/86/374096286.db2.gz IOMPYTYCRAEKII-QGZVFWFLSA-N 1 1 298.365 2.949 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069770302 374096292 /nfs/dbraw/zinc/09/62/92/374096292.db2.gz IOMPYTYCRAEKII-QGZVFWFLSA-N 1 1 298.365 2.949 50 30 CFEAMO CC[N@H+](CCc1nc2ccccc2n1C)C[C@H](C)C#N ZINC000069809111 374100157 /nfs/dbraw/zinc/10/01/57/374100157.db2.gz VZNIBSVMEFPWBK-CYBMUJFWSA-N 1 1 270.380 2.597 50 30 CFEAMO CC[N@@H+](CCc1nc2ccccc2n1C)C[C@H](C)C#N ZINC000069809111 374100163 /nfs/dbraw/zinc/10/01/63/374100163.db2.gz VZNIBSVMEFPWBK-CYBMUJFWSA-N 1 1 270.380 2.597 50 30 CFEAMO C[N@@H+]1CC=C(CCNc2c(C#N)nnc3ccccc32)CC1 ZINC000089374939 374898817 /nfs/dbraw/zinc/89/88/17/374898817.db2.gz RIPOLZPKCRIURL-UHFFFAOYSA-N 1 1 293.374 2.565 50 30 CFEAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093869558 375326338 /nfs/dbraw/zinc/32/63/38/375326338.db2.gz JZUDRBBKHZWUQT-STQMWFEESA-N 1 1 250.367 2.867 50 30 CFEAMO C[C@H](NC(=O)Cn1cc2ccccc2n1)C1=CC[N@@H+](C)CC1 ZINC000329714291 378486383 /nfs/dbraw/zinc/48/63/83/378486383.db2.gz STSDQPILPXVHDK-ZDUSSCGKSA-N 1 1 298.390 2.643 50 30 CFEAMO C#CCOc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000170594878 379121870 /nfs/dbraw/zinc/12/18/70/379121870.db2.gz FOSNZIINJJBYKZ-UHFFFAOYSA-N 1 1 266.344 2.726 50 30 CFEAMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C#N ZINC000170604887 379126730 /nfs/dbraw/zinc/12/67/30/379126730.db2.gz JXKKVKIOHANHLT-MRXNPFEDSA-N 1 1 292.386 2.948 50 30 CFEAMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000170614537 379129640 /nfs/dbraw/zinc/12/96/40/379129640.db2.gz PAWGYRRUAAAZJT-MRXNPFEDSA-N 1 1 285.391 2.956 50 30 CFEAMO N#Cc1ccnc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000299797052 382050110 /nfs/dbraw/zinc/05/01/10/382050110.db2.gz OLFNCFYZVCJYNY-GJZGRUSLSA-N 1 1 255.365 2.965 50 30 CFEAMO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(C#N)CC1 ZINC000328592841 382549803 /nfs/dbraw/zinc/54/98/03/382549803.db2.gz JENFPAWOPJZDPO-UHFFFAOYSA-N 1 1 257.381 2.878 50 30 CFEAMO COc1cccc2ccc(C[NH+]3CCC(C#N)CC3)nc21 ZINC000215657969 382779742 /nfs/dbraw/zinc/77/97/42/382779742.db2.gz FSNFNQRRFCYPEP-UHFFFAOYSA-N 1 1 281.359 2.979 50 30 CFEAMO C[C@H](CO)[N@@H+](Cc1ccccc1C#N)C1CCCC1 ZINC000225570498 382818372 /nfs/dbraw/zinc/81/83/72/382818372.db2.gz HKRWTKXFBJEPPQ-CYBMUJFWSA-N 1 1 258.365 2.684 50 30 CFEAMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000225670687 382820304 /nfs/dbraw/zinc/82/03/04/382820304.db2.gz UDHOVBFPHLIDBX-UHFFFAOYSA-N 1 1 278.421 2.955 50 30 CFEAMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000225670687 382820308 /nfs/dbraw/zinc/82/03/08/382820308.db2.gz UDHOVBFPHLIDBX-UHFFFAOYSA-N 1 1 278.421 2.955 50 30 CFEAMO Oc1ccccc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000240517156 382982639 /nfs/dbraw/zinc/98/26/39/382982639.db2.gz NVQRMPQPJSCBRR-UHFFFAOYSA-N 1 1 295.386 2.544 50 30 CFEAMO C=C(Br)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246978347 383127678 /nfs/dbraw/zinc/12/76/78/383127678.db2.gz VSHASFGUZIRYGS-JSGCOSHPSA-N 1 1 299.256 2.844 50 30 CFEAMO N#Cc1cc(F)c(N2CCC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000247693425 383191668 /nfs/dbraw/zinc/19/16/68/383191668.db2.gz XVJLTQRKSWNXAS-LBPRGKRZSA-N 1 1 277.318 2.511 50 30 CFEAMO CCOC(=O)c1c(C)c(C)sc1[NH+]=CN(C)C ZINC000252597912 383420838 /nfs/dbraw/zinc/42/08/38/383420838.db2.gz CWEIRPJFVUMMHX-UHFFFAOYSA-N 1 1 254.355 2.763 50 30 CFEAMO C[C@@](O)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)C1CC1 ZINC000245226014 131084124 /nfs/dbraw/zinc/08/41/24/131084124.db2.gz DGDQAXYQNZLNJU-ZWKOTPCHSA-N 1 1 284.403 2.773 50 30 CFEAMO C[C@@](O)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)C1CC1 ZINC000245226014 131084126 /nfs/dbraw/zinc/08/41/26/131084126.db2.gz DGDQAXYQNZLNJU-ZWKOTPCHSA-N 1 1 284.403 2.773 50 30 CFEAMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000268433059 132008157 /nfs/dbraw/zinc/00/81/57/132008157.db2.gz DOPMHGXLZZRMDP-QEJZJMRPSA-N 1 1 281.421 2.837 50 30 CFEAMO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000268433059 132008158 /nfs/dbraw/zinc/00/81/58/132008158.db2.gz DOPMHGXLZZRMDP-QEJZJMRPSA-N 1 1 281.421 2.837 50 30 CFEAMO C#CC1(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC000035074999 393519316 /nfs/dbraw/zinc/51/93/16/393519316.db2.gz OCYWTORKQAWKIA-BBWFWOEESA-N 1 1 293.451 2.678 50 30 CFEAMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NCCCC ZINC000060168352 393625186 /nfs/dbraw/zinc/62/51/86/393625186.db2.gz WGBSZKPFYGNOAS-UHFFFAOYSA-N 1 1 274.408 2.633 50 30 CFEAMO C=CC[N@H+](CCc1ccccc1)CC(=O)NCCCC ZINC000060168352 393625191 /nfs/dbraw/zinc/62/51/91/393625191.db2.gz WGBSZKPFYGNOAS-UHFFFAOYSA-N 1 1 274.408 2.633 50 30 CFEAMO CN(CCCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078947961 393714008 /nfs/dbraw/zinc/71/40/08/393714008.db2.gz ZQAJPAGZFGCPBC-QGZVFWFLSA-N 1 1 271.408 2.744 50 30 CFEAMO N#Cc1cc(F)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480196 135070967 /nfs/dbraw/zinc/07/09/67/135070967.db2.gz XKRLVKSAKIJGGZ-LLVKDONJSA-N 1 1 270.311 2.804 50 30 CFEAMO CC[C@@H]1C[N@@H+](CCCC#N)[C@H](CC)CN1CCCC#N ZINC000077318712 287193466 /nfs/dbraw/zinc/19/34/66/287193466.db2.gz SAJUVTKYZJWTSA-HZPDHXFCSA-N 1 1 276.428 2.769 50 30 CFEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000007384245 170282170 /nfs/dbraw/zinc/28/21/70/170282170.db2.gz UNSSSRNHMGEDBH-STQMWFEESA-N 1 1 271.364 2.617 50 30 CFEAMO C[C@]([NH3+])(C#N)CCCSc1nc2ccccc2o1 ZINC000045365103 175362541 /nfs/dbraw/zinc/36/25/41/175362541.db2.gz BODYCWBRYRWOBR-CYBMUJFWSA-N 1 1 261.350 2.941 50 30 CFEAMO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000071873530 176284407 /nfs/dbraw/zinc/28/44/07/176284407.db2.gz SGHBAZNNKBNCIK-UHFFFAOYSA-N 1 1 292.386 2.666 50 30 CFEAMO CC[C@@H]1CN(Cc2cc(C#N)n(C)c2C)CC[N@H+]1C(C)C ZINC000072166659 176331507 /nfs/dbraw/zinc/33/15/07/176331507.db2.gz JCLPQCQBEADNDN-MRXNPFEDSA-N 1 1 288.439 2.510 50 30 CFEAMO CN(Cc1ccccc1C#N)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000826792167 782028266 /nfs/dbraw/zinc/02/82/66/782028266.db2.gz RGPCWDROMDIXDW-MRXNPFEDSA-N 1 1 271.408 2.720 50 30 CFEAMO C[N@H+]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789811 328298509 /nfs/dbraw/zinc/29/85/09/328298509.db2.gz ALEJEIQIOZAHFW-KRWDZBQOSA-N 1 1 297.446 2.886 50 30 CFEAMO CN1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789811 328298510 /nfs/dbraw/zinc/29/85/10/328298510.db2.gz ALEJEIQIOZAHFW-KRWDZBQOSA-N 1 1 297.446 2.886 50 30 CFEAMO C[N@H+]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789829 328298594 /nfs/dbraw/zinc/29/85/94/328298594.db2.gz ALEJEIQIOZAHFW-QGZVFWFLSA-N 1 1 297.446 2.886 50 30 CFEAMO CN1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789829 328298595 /nfs/dbraw/zinc/29/85/95/328298595.db2.gz ALEJEIQIOZAHFW-QGZVFWFLSA-N 1 1 297.446 2.886 50 30 CFEAMO C=CC[N@H+]1CCC[C@H]1C(=O)NCC1(CCC)CCC1 ZINC000534647886 328342965 /nfs/dbraw/zinc/34/29/65/328342965.db2.gz ZLSOVXDESAMXDS-AWEZNQCLSA-N 1 1 264.413 2.723 50 30 CFEAMO C=CC[N@@H+]1CCC[C@H]1C(=O)NCC1(CCC)CCC1 ZINC000534647886 328342966 /nfs/dbraw/zinc/34/29/66/328342966.db2.gz ZLSOVXDESAMXDS-AWEZNQCLSA-N 1 1 264.413 2.723 50 30 CFEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1c(O)c(C)ncc1CO ZINC000067674912 519107370 /nfs/dbraw/zinc/10/73/70/519107370.db2.gz ZGTPUGSIRKVESO-IUODEOHRSA-N 1 1 288.391 2.683 50 30 CFEAMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000096483370 526886968 /nfs/dbraw/zinc/88/69/68/526886968.db2.gz YSWBBZMLDXDBTG-PWSUYJOCSA-N 1 1 288.819 2.974 50 30 CFEAMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000096483370 526886971 /nfs/dbraw/zinc/88/69/71/526886971.db2.gz YSWBBZMLDXDBTG-PWSUYJOCSA-N 1 1 288.819 2.974 50 30 CFEAMO C=CC[C@H]1[N@H+](CC(=O)NC2(C#N)CCC2)CCCC1(C)C ZINC000332459761 527226121 /nfs/dbraw/zinc/22/61/21/527226121.db2.gz ISHHXXIOMSIBCO-CQSZACIVSA-N 1 1 289.423 2.616 50 30 CFEAMO C=CCc1cc(C)ccc1OCCC[NH+]1CCOCC1 ZINC000020117966 527234353 /nfs/dbraw/zinc/23/43/53/527234353.db2.gz WKGHZWNXNKSRTQ-UHFFFAOYSA-N 1 1 275.392 2.825 50 30 CFEAMO C=CCOc1ccc(C[NH2+][C@H](C)c2nncn2CC)cc1 ZINC000952990934 613884730 /nfs/dbraw/zinc/88/47/30/613884730.db2.gz YFLQLQFZFDJMMI-CYBMUJFWSA-N 1 1 286.379 2.714 50 30 CFEAMO C[C@]1(C#N)CCC[N@H+](CCOCc2ccccc2)C1 ZINC000595427970 349622698 /nfs/dbraw/zinc/62/26/98/349622698.db2.gz VMRFQLNSNAJTHZ-MRXNPFEDSA-N 1 1 258.365 2.829 50 30 CFEAMO C[C@]1(C#N)CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000595427970 349622700 /nfs/dbraw/zinc/62/27/00/349622700.db2.gz VMRFQLNSNAJTHZ-MRXNPFEDSA-N 1 1 258.365 2.829 50 30 CFEAMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCC=CO1 ZINC000225578164 348178797 /nfs/dbraw/zinc/17/87/97/348178797.db2.gz GYJSLYAZBBWDIG-AWEZNQCLSA-N 1 1 260.312 2.822 50 30 CFEAMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCC=CO1 ZINC000225578164 348178799 /nfs/dbraw/zinc/17/87/99/348178799.db2.gz GYJSLYAZBBWDIG-AWEZNQCLSA-N 1 1 260.312 2.822 50 30 CFEAMO N#Cc1sc2c(c1N)CC[N@@H+](Cc1ccccc1)C2 ZINC000019925793 283260450 /nfs/dbraw/zinc/26/04/50/283260450.db2.gz FPEQXMZWRYDCIV-UHFFFAOYSA-N 1 1 269.373 2.760 50 30 CFEAMO N#Cc1ccc(C(=O)c2ccc(C[NH+]3CCC3)cc2)cc1 ZINC000002514608 371731049 /nfs/dbraw/zinc/73/10/49/371731049.db2.gz XEVRBJGDSHDLSM-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO N#Cc1ccc(C(=O)c2ccccc2C[NH+]2CCC2)cc1 ZINC000002515603 371731206 /nfs/dbraw/zinc/73/12/06/371731206.db2.gz BFMURANZQUXRSV-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO N#Cc1ccc(NC(=O)C[NH+]2CCCCC2)cc1Cl ZINC000003429826 371799059 /nfs/dbraw/zinc/79/90/59/371799059.db2.gz DGQMQSIYQAJPLZ-UHFFFAOYSA-N 1 1 277.755 2.636 50 30 CFEAMO C(=[NH+]Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000004982110 371877844 /nfs/dbraw/zinc/87/78/44/371877844.db2.gz AOZBQCDCTRIVFT-NBVRZTHBSA-N 1 1 281.359 2.969 50 30 CFEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000019771376 372184637 /nfs/dbraw/zinc/18/46/37/372184637.db2.gz RUEZBTOCQSOPAR-OBGWFSINSA-N 1 1 283.375 2.821 50 30 CFEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccccc1F ZINC000026329245 372318523 /nfs/dbraw/zinc/31/85/23/372318523.db2.gz KKWZDOVSSICBDH-QGZVFWFLSA-N 1 1 284.334 2.863 50 30 CFEAMO COc1ccccc1C[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000069351048 374055435 /nfs/dbraw/zinc/05/54/35/374055435.db2.gz GJBOQBVSZJBFHG-UHFFFAOYSA-N 1 1 296.370 2.561 50 30 CFEAMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(C#N)cc1 ZINC000069351048 374055441 /nfs/dbraw/zinc/05/54/41/374055441.db2.gz GJBOQBVSZJBFHG-UHFFFAOYSA-N 1 1 296.370 2.561 50 30 CFEAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000070038849 374116734 /nfs/dbraw/zinc/11/67/34/374116734.db2.gz HOFCUYOSDRYZIG-KRWDZBQOSA-N 1 1 280.375 2.728 50 30 CFEAMO CC[N@H+](CCc1nc2ccccc2n1C)C[C@@H](C)C#N ZINC000069809106 374099998 /nfs/dbraw/zinc/09/99/98/374099998.db2.gz VZNIBSVMEFPWBK-ZDUSSCGKSA-N 1 1 270.380 2.597 50 30 CFEAMO CC[N@@H+](CCc1nc2ccccc2n1C)C[C@@H](C)C#N ZINC000069809106 374100005 /nfs/dbraw/zinc/10/00/05/374100005.db2.gz VZNIBSVMEFPWBK-ZDUSSCGKSA-N 1 1 270.380 2.597 50 30 CFEAMO C[C@H]1C[N@@H+](C)Cc2c1nc(N)c(C#N)c2-c1cccs1 ZINC000072121963 374234258 /nfs/dbraw/zinc/23/42/58/374234258.db2.gz TXEXOTVQMGUEOQ-VIFPVBQESA-N 1 1 284.388 2.813 50 30 CFEAMO C=C(C)CN(CC)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074791582 374437852 /nfs/dbraw/zinc/43/78/52/374437852.db2.gz GTYFRIZRCBYIIY-GOOCMWNKSA-N 1 1 279.428 2.609 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC000075127322 374460218 /nfs/dbraw/zinc/46/02/18/374460218.db2.gz ZNENIOXSNYNRHU-INIZCTEOSA-N 1 1 266.348 2.629 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC000075127322 374460219 /nfs/dbraw/zinc/46/02/19/374460219.db2.gz ZNENIOXSNYNRHU-INIZCTEOSA-N 1 1 266.348 2.629 50 30 CFEAMO COCC[N@@H+](Cc1ccccc1C#N)[C@H]1CCSC1 ZINC000095446679 375452371 /nfs/dbraw/zinc/45/23/71/375452371.db2.gz BPMNVAOEQIRLTI-HNNXBMFYSA-N 1 1 276.405 2.512 50 30 CFEAMO Cc1ccc(CNc2ccc(C#N)cn2)c(N2CCCC2)[nH+]1 ZINC000097237176 375545222 /nfs/dbraw/zinc/54/52/22/375545222.db2.gz OVVBXEMANQPACR-UHFFFAOYSA-N 1 1 293.374 2.869 50 30 CFEAMO CN(C)/C=[NH+]/c1ncc(C(F)(F)F)cc1Cl ZINC000100250071 375617024 /nfs/dbraw/zinc/61/70/24/375617024.db2.gz PQXCMRVZZLCVQD-PJQLUOCWSA-N 1 1 251.639 2.975 50 30 CFEAMO CCCC[N@@H+](C)CC(=O)Nc1c(C#N)oc2ccccc21 ZINC000048286183 412903252 /nfs/dbraw/zinc/90/32/52/412903252.db2.gz OZUPWNULMXBNMF-UHFFFAOYSA-N 1 1 285.347 2.975 50 30 CFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000225159624 382813125 /nfs/dbraw/zinc/81/31/25/382813125.db2.gz XEYJCGJAFIJQDT-QWHCGFSZSA-N 1 1 271.364 2.617 50 30 CFEAMO CC(=NN1CC[NH+](C)CC1)c1ccc2c3c(cccc31)CC2 ZINC000254770683 383471202 /nfs/dbraw/zinc/47/12/02/383471202.db2.gz MUUUQPFUXMFAPE-UHFFFAOYSA-N 1 1 293.414 2.910 50 30 CFEAMO CC[N@H+](CC(=O)NC1(C#N)CCCC1)Cc1cccs1 ZINC000024740287 393491201 /nfs/dbraw/zinc/49/12/01/393491201.db2.gz KCWONBJIFPRCER-UHFFFAOYSA-N 1 1 291.420 2.523 50 30 CFEAMO CC[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1cccs1 ZINC000024740287 393491206 /nfs/dbraw/zinc/49/12/06/393491206.db2.gz KCWONBJIFPRCER-UHFFFAOYSA-N 1 1 291.420 2.523 50 30 CFEAMO C=CCNC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007359 393505394 /nfs/dbraw/zinc/50/53/94/393505394.db2.gz UMBJRWLJJGYMIU-CQSZACIVSA-N 1 1 287.407 2.780 50 30 CFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(C)c1)C(C)C ZINC000036098747 393521736 /nfs/dbraw/zinc/52/17/36/393521736.db2.gz RPMKYBMAAMIZIU-QGZVFWFLSA-N 1 1 277.408 2.769 50 30 CFEAMO C#CC(C)(C)[N@@H+]1CC[C@](O)(c2ccccc2)[C@H](C)C1 ZINC000036023024 393521879 /nfs/dbraw/zinc/52/18/79/393521879.db2.gz VLPZXHXIPQDJKJ-RHSMWYFYSA-N 1 1 257.377 2.628 50 30 CFEAMO N#CCCCC[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000071910720 393641462 /nfs/dbraw/zinc/64/14/62/393641462.db2.gz HQKGFZGKNQEQEY-MRXNPFEDSA-N 1 1 258.365 2.878 50 30 CFEAMO Oc1cccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000238936974 393796972 /nfs/dbraw/zinc/79/69/72/393796972.db2.gz SREMFPMVDNDRHG-UHFFFAOYSA-N 1 1 295.386 2.544 50 30 CFEAMO C[C@H](CC#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000585105569 395100288 /nfs/dbraw/zinc/10/02/88/395100288.db2.gz DUMAHOBKUGONLZ-HZPDHXFCSA-N 1 1 299.418 2.659 50 30 CFEAMO C[C@@H](CC#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000585105570 395100522 /nfs/dbraw/zinc/10/05/22/395100522.db2.gz DUMAHOBKUGONLZ-JKSUJKDBSA-N 1 1 299.418 2.659 50 30 CFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H](C)CC ZINC000104971560 397596566 /nfs/dbraw/zinc/59/65/66/397596566.db2.gz RENDZXRTPNPQAU-SJLPKXTDSA-N 1 1 289.419 2.606 50 30 CFEAMO C[C@@]([NH3+])(C#N)CCCSc1nc2ccccc2o1 ZINC000045365106 175362405 /nfs/dbraw/zinc/36/24/05/175362405.db2.gz BODYCWBRYRWOBR-ZDUSSCGKSA-N 1 1 261.350 2.941 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000071875209 176284747 /nfs/dbraw/zinc/28/47/47/176284747.db2.gz IJKRJTZFYLPIKP-KRWDZBQOSA-N 1 1 280.375 2.809 50 30 CFEAMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000071875200 176285221 /nfs/dbraw/zinc/28/52/21/176285221.db2.gz PLUTVQFLZMALJN-KRWDZBQOSA-N 1 1 280.375 2.809 50 30 CFEAMO CCn1cc(C[N@H+]2CC[C@@H](n3nc(C)cc3C)C2)cc1C#N ZINC000072144352 176323906 /nfs/dbraw/zinc/32/39/06/176323906.db2.gz VESHIEAUYWLIDG-MRXNPFEDSA-N 1 1 297.406 2.640 50 30 CFEAMO Cc1nc[nH]c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000299785460 328298538 /nfs/dbraw/zinc/29/85/38/328298538.db2.gz RKVSNIFNWYZKDQ-UHFFFAOYSA-N 1 1 280.375 2.776 50 30 CFEAMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000534589495 328317239 /nfs/dbraw/zinc/31/72/39/328317239.db2.gz OIAVZYFFTRGKTL-AWEZNQCLSA-N 1 1 264.413 2.723 50 30 CFEAMO C=C(Br)C[NH2+][C@H](CCO)c1ccccc1 ZINC000096490936 526428416 /nfs/dbraw/zinc/42/84/16/526428416.db2.gz YAYDPPKRAZEKMD-GFCCVEGCSA-N 1 1 270.170 2.608 50 30 CFEAMO C=C[C@H]1CC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000820443838 781868617 /nfs/dbraw/zinc/86/86/17/781868617.db2.gz NPZDPXGPPNRNJT-ZDUSSCGKSA-N 1 1 275.417 2.878 50 30 CFEAMO [NH2+]=C(NOC(=O)CCCOc1ccccc1)c1ccccc1 ZINC000004985936 230369316 /nfs/dbraw/zinc/36/93/16/230369316.db2.gz MKNLBAAYTVOHKM-UHFFFAOYSA-N 1 1 298.342 2.709 50 30 CFEAMO C=C1C(=O)O[C@]2(C)C[N@H+](C)[C@H](c3ccccc3)C[C@H]12 ZINC000075249748 347062075 /nfs/dbraw/zinc/06/20/75/347062075.db2.gz KWAFPAXUOFTRRO-IJEWVQPXSA-N 1 1 257.333 2.551 50 30 CFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1cccc(C)c1)[C@@H](C)CC ZINC000169677078 348051679 /nfs/dbraw/zinc/05/16/79/348051679.db2.gz RENDZXRTPNPQAU-FUHWJXTLSA-N 1 1 289.419 2.606 50 30 CFEAMO O=C(CN1C=CC(=C2C=CC(=O)C=C2)[NH+]=C1)c1ccccc1 ZINC000221621505 348171792 /nfs/dbraw/zinc/17/17/92/348171792.db2.gz NSRMXPABQZMYET-UHFFFAOYSA-N 1 1 290.322 2.676 50 30 CFEAMO CCCN1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000092659786 540411406 /nfs/dbraw/zinc/41/14/06/540411406.db2.gz ZZCNVMICYIMZGT-UHFFFAOYSA-N 1 1 251.418 2.734 50 30 CFEAMO CCC[N@@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000092659786 540411409 /nfs/dbraw/zinc/41/14/09/540411409.db2.gz ZZCNVMICYIMZGT-UHFFFAOYSA-N 1 1 251.418 2.734 50 30 CFEAMO CCC[N@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000092659786 540411412 /nfs/dbraw/zinc/41/14/12/540411412.db2.gz ZZCNVMICYIMZGT-UHFFFAOYSA-N 1 1 251.418 2.734 50 30 CFEAMO C#CCOc1ccccc1C[N@H+](C)Cc1ccncc1 ZINC000178654937 189134490 /nfs/dbraw/zinc/13/44/90/189134490.db2.gz JWDQIJYJQRVIJG-UHFFFAOYSA-N 1 1 266.344 2.726 50 30 CFEAMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC000178654937 189134491 /nfs/dbraw/zinc/13/44/91/189134491.db2.gz JWDQIJYJQRVIJG-UHFFFAOYSA-N 1 1 266.344 2.726 50 30 CFEAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCn3nc(C#N)cc3C1)=CC2 ZINC000670451088 540999920 /nfs/dbraw/zinc/99/99/20/540999920.db2.gz ABTDXXWRSIZWLE-BBRMVZONSA-N 1 1 282.391 2.563 50 30 CFEAMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCn3nc(C#N)cc3C1)=CC2 ZINC000670451088 540999921 /nfs/dbraw/zinc/99/99/21/540999921.db2.gz ABTDXXWRSIZWLE-BBRMVZONSA-N 1 1 282.391 2.563 50 30 CFEAMO C#CC(C)(C)[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H](C)C1 ZINC000015188347 372082144 /nfs/dbraw/zinc/08/21/44/372082144.db2.gz VLPZXHXIPQDJKJ-PBHICJAKSA-N 1 1 257.377 2.628 50 30 CFEAMO C=CCN1c2ccccc2[N@H+](CC(=O)C(C)(C)C)C1=N ZINC000019805573 372190620 /nfs/dbraw/zinc/19/06/20/372190620.db2.gz HMXPFULHRKVCNO-UHFFFAOYSA-N 1 1 271.364 2.723 50 30 CFEAMO C=CCN1c2ccccc2[N@@H+](CC(=O)C(C)(C)C)C1=N ZINC000019805573 372190624 /nfs/dbraw/zinc/19/06/24/372190624.db2.gz HMXPFULHRKVCNO-UHFFFAOYSA-N 1 1 271.364 2.723 50 30 CFEAMO Fc1cccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019899187 372204069 /nfs/dbraw/zinc/20/40/69/372204069.db2.gz LKKHGYMEPCPXLN-XSFVSMFZSA-N 1 1 297.377 2.977 50 30 CFEAMO Cc1sc(NC(N)=[NH2+])nc1-c1ccc2c(c1)CCC2 ZINC000030005218 372389489 /nfs/dbraw/zinc/38/94/89/372389489.db2.gz XAQXNHVCSZEEAQ-UHFFFAOYSA-N 1 1 272.377 2.512 50 30 CFEAMO N#Cc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000042251303 372895655 /nfs/dbraw/zinc/89/56/55/372895655.db2.gz KLYFALREGDUHSA-JKSUJKDBSA-N 1 1 256.349 2.702 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000042251303 372895657 /nfs/dbraw/zinc/89/56/57/372895657.db2.gz KLYFALREGDUHSA-JKSUJKDBSA-N 1 1 256.349 2.702 50 30 CFEAMO Cc1noc(C)c1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000051706028 373406720 /nfs/dbraw/zinc/40/67/20/373406720.db2.gz UAJPHQNMYIUVSD-UHFFFAOYSA-N 1 1 285.347 2.674 50 30 CFEAMO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000065587247 373890900 /nfs/dbraw/zinc/89/09/00/373890900.db2.gz LJGQBYXDTCLVOO-UHFFFAOYSA-N 1 1 272.392 2.719 50 30 CFEAMO C[C@H]1CCCC[N@H+]1CCN(C)Cc1ccccc1C#N ZINC000067697446 373995412 /nfs/dbraw/zinc/99/54/12/373995412.db2.gz SXGMUOXAGUJXGF-HNNXBMFYSA-N 1 1 271.408 2.864 50 30 CFEAMO C=CCS[C@H](C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000071385531 374216370 /nfs/dbraw/zinc/21/63/70/374216370.db2.gz GSWKZICQPXRMRX-CQSZACIVSA-N 1 1 296.480 2.771 50 30 CFEAMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCSC1 ZINC000089937635 374972176 /nfs/dbraw/zinc/97/21/76/374972176.db2.gz HAQLTPOWHQKFSC-LBPRGKRZSA-N 1 1 250.342 2.635 50 30 CFEAMO CN1CC[N@@H+](CCCSCC#N)[C@H](c2ccccc2)C1 ZINC000095442072 375450638 /nfs/dbraw/zinc/45/06/38/375450638.db2.gz ZBUPLRARGSJKSM-INIZCTEOSA-N 1 1 289.448 2.622 50 30 CFEAMO C[N@@H+]1CCN(CCCSCC#N)[C@H](c2ccccc2)C1 ZINC000095442072 375450641 /nfs/dbraw/zinc/45/06/41/375450641.db2.gz ZBUPLRARGSJKSM-INIZCTEOSA-N 1 1 289.448 2.622 50 30 CFEAMO C[N@H+]1CCN(CCCSCC#N)[C@H](c2ccccc2)C1 ZINC000095442072 375450643 /nfs/dbraw/zinc/45/06/43/375450643.db2.gz ZBUPLRARGSJKSM-INIZCTEOSA-N 1 1 289.448 2.622 50 30 CFEAMO Cc1ccc(NC[C@H]2CCN(c3ccc(C#N)cn3)C2)[nH+]c1 ZINC000097200956 375539217 /nfs/dbraw/zinc/53/92/17/375539217.db2.gz PCZMFAFWPRYAKG-OAHLLOKOSA-N 1 1 293.374 2.595 50 30 CFEAMO C=C(Br)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000096447063 375486842 /nfs/dbraw/zinc/48/68/42/375486842.db2.gz HBLIGRNSHTWICU-ZDUSSCGKSA-N 1 1 287.245 2.559 50 30 CFEAMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000097495489 375566933 /nfs/dbraw/zinc/56/69/33/375566933.db2.gz XVDFIVJZGPSHBR-UHFFFAOYSA-N 1 1 298.386 2.657 50 30 CFEAMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000097495489 375566934 /nfs/dbraw/zinc/56/69/34/375566934.db2.gz XVDFIVJZGPSHBR-UHFFFAOYSA-N 1 1 298.386 2.657 50 30 CFEAMO Cc1cccc(N2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000157339692 378652519 /nfs/dbraw/zinc/65/25/19/378652519.db2.gz ANRPJQBHDQGQLQ-UHFFFAOYSA-N 1 1 278.359 2.588 50 30 CFEAMO N#Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000299757050 382041130 /nfs/dbraw/zinc/04/11/30/382041130.db2.gz IDCKCLLLSASJCD-AWEZNQCLSA-N 1 1 297.402 2.553 50 30 CFEAMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000195544667 382769578 /nfs/dbraw/zinc/76/95/78/382769578.db2.gz YSWBBZMLDXDBTG-CMPLNLGQSA-N 1 1 288.819 2.974 50 30 CFEAMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000195544667 382769579 /nfs/dbraw/zinc/76/95/79/382769579.db2.gz YSWBBZMLDXDBTG-CMPLNLGQSA-N 1 1 288.819 2.974 50 30 CFEAMO C[N@@H+](CCC[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000215041935 382777596 /nfs/dbraw/zinc/77/75/96/382777596.db2.gz XWRIOUJXZWGYCA-INIZCTEOSA-N 1 1 258.365 2.949 50 30 CFEAMO C=CCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000221941385 382800384 /nfs/dbraw/zinc/80/03/84/382800384.db2.gz JVPQROAZKXGOAP-CABCVRRESA-N 1 1 278.440 2.969 50 30 CFEAMO N#Cc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000230251105 382857849 /nfs/dbraw/zinc/85/78/49/382857849.db2.gz KLYFALREGDUHSA-CVEARBPZSA-N 1 1 256.349 2.702 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000230251105 382857850 /nfs/dbraw/zinc/85/78/50/382857850.db2.gz KLYFALREGDUHSA-CVEARBPZSA-N 1 1 256.349 2.702 50 30 CFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccsc1)CC(C)C ZINC000036099225 393522285 /nfs/dbraw/zinc/52/22/85/393522285.db2.gz XJKWEVHGJUKFEP-OAHLLOKOSA-N 1 1 283.437 2.770 50 30 CFEAMO C=CCn1cc(C[N@@H+](CC2CC2)C[C@H]2CCCO2)c(C)n1 ZINC000055109298 393620745 /nfs/dbraw/zinc/62/07/45/393620745.db2.gz BPFMXYJPNGOZLQ-QGZVFWFLSA-N 1 1 289.423 2.769 50 30 CFEAMO C=C(C)CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055153439 393620937 /nfs/dbraw/zinc/62/09/37/393620937.db2.gz UHBHADIXYIJKJI-AWEZNQCLSA-N 1 1 276.380 2.526 50 30 CFEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2cccc(C)c2)cc1 ZINC000004954389 170045087 /nfs/dbraw/zinc/04/50/87/170045087.db2.gz OQCKNJGWILCQMI-UHFFFAOYSA-N 1 1 268.316 2.781 50 30 CFEAMO Cc1cccc(C(=O)O/N=C2\C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000005647844 170124216 /nfs/dbraw/zinc/12/42/16/170124216.db2.gz WSBKLQGARDLANT-BLCHQYFCSA-N 1 1 274.364 2.868 50 30 CFEAMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000007785652 170302589 /nfs/dbraw/zinc/30/25/89/170302589.db2.gz GSLDXHAZOMLTON-UHFFFAOYSA-N 1 1 279.343 2.629 50 30 CFEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000007785652 170302590 /nfs/dbraw/zinc/30/25/90/170302590.db2.gz GSLDXHAZOMLTON-UHFFFAOYSA-N 1 1 279.343 2.629 50 30 CFEAMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000010052017 170396987 /nfs/dbraw/zinc/39/69/87/170396987.db2.gz BUXVSWKNXQCECB-LBPRGKRZSA-N 1 1 259.353 2.617 50 30 CFEAMO C=CC[N@@H+]1CCCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000072252765 176350007 /nfs/dbraw/zinc/35/00/07/176350007.db2.gz GOXNAPSMGPKIIN-UHFFFAOYSA-N 1 1 272.392 2.637 50 30 CFEAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(C#N)cc2)C1 ZINC000040118845 260135990 /nfs/dbraw/zinc/13/59/90/260135990.db2.gz IENYLHWCCSWGCY-GASCZTMLSA-N 1 1 299.418 2.656 50 30 CFEAMO C#CC[N@H+](Cc1ccn(C)c(=O)c1)[C@H]1CCc2ccccc21 ZINC000052846227 275381409 /nfs/dbraw/zinc/38/14/09/275381409.db2.gz RUSOQLRHQYTLFJ-SFHVURJKSA-N 1 1 292.382 2.508 50 30 CFEAMO CCC[N@H+]1CCc2c(C#N)c(N)sc(=S)c2C1 ZINC000019707385 276014078 /nfs/dbraw/zinc/01/40/78/276014078.db2.gz HFUDTUUMRNIBPI-UHFFFAOYSA-N 1 1 265.407 2.700 50 30 CFEAMO C(#CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000019707735 276801393 /nfs/dbraw/zinc/80/13/93/276801393.db2.gz VYDQOKHJRQEQEZ-UHFFFAOYSA-N 1 1 255.361 2.683 50 30 CFEAMO C[N@@H+]1CCc2c([nH]c(=S)c(C#N)c2-c2ccsc2)C1 ZINC000002486524 277186978 /nfs/dbraw/zinc/18/69/78/277186978.db2.gz WVXRAWYHOFCHRC-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO C[N@H+]1CCc2c([nH]c(=S)c(C#N)c2-c2ccsc2)C1 ZINC000002486524 277186981 /nfs/dbraw/zinc/18/69/81/277186981.db2.gz WVXRAWYHOFCHRC-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCCCC#N ZINC000096492548 529115897 /nfs/dbraw/zinc/11/58/97/529115897.db2.gz SAMIVCGOZZNYAP-UHFFFAOYSA-N 1 1 277.334 2.639 50 30 CFEAMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[NH+]1CCCC1 ZINC000018178690 618791198 /nfs/dbraw/zinc/79/11/98/618791198.db2.gz HRQQQQXBJRHSNF-ATVHPVEESA-N 1 1 284.403 2.963 50 30 CFEAMO C[C@H]([NH2+][C@@H](CO)c1ccco1)c1ccc(C#N)cc1 ZINC000096493425 230383338 /nfs/dbraw/zinc/38/33/38/230383338.db2.gz QTOKZPKZDHQKIB-FZMZJTMJSA-N 1 1 256.305 2.535 50 30 CFEAMO CC#CCC[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095943133 185037476 /nfs/dbraw/zinc/03/74/76/185037476.db2.gz ZQMCTAOWCPWTJM-CQSZACIVSA-N 1 1 280.412 2.779 50 30 CFEAMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000098012992 529983678 /nfs/dbraw/zinc/98/36/78/529983678.db2.gz GPXOLQYRGUENIZ-OAGGEKHMSA-N 1 1 270.376 2.804 50 30 CFEAMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000110691873 347749453 /nfs/dbraw/zinc/74/94/53/347749453.db2.gz YSWBBZMLDXDBTG-ZYHUDNBSSA-N 1 1 288.819 2.974 50 30 CFEAMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000110691873 347749456 /nfs/dbraw/zinc/74/94/56/347749456.db2.gz YSWBBZMLDXDBTG-ZYHUDNBSSA-N 1 1 288.819 2.974 50 30 CFEAMO C=C(Br)C[NH+]1CCC(CC(=O)OCC)CC1 ZINC000131425260 347877825 /nfs/dbraw/zinc/87/78/25/347877825.db2.gz IPEGPYHQDHYNFN-UHFFFAOYSA-N 1 1 290.201 2.560 50 30 CFEAMO Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)o3)CC2)n1 ZINC000154339532 347979168 /nfs/dbraw/zinc/97/91/68/347979168.db2.gz QCISECZQAGNQCO-UHFFFAOYSA-N 1 1 297.358 2.898 50 30 CFEAMO C#CC[N@@H+]1CC[C@@](OC(=O)CC)(c2ccccc2)[C@@H]1C ZINC000216002380 348163594 /nfs/dbraw/zinc/16/35/94/348163594.db2.gz KLGHDMOBCKWGTK-YOEHRIQHSA-N 1 1 271.360 2.563 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000091877144 180278693 /nfs/dbraw/zinc/27/86/93/180278693.db2.gz IHQHFBMPDKIZKG-QGZVFWFLSA-N 1 1 293.382 2.985 50 30 CFEAMO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000585090156 540461261 /nfs/dbraw/zinc/46/12/61/540461261.db2.gz OPJYJKOGMKSITR-REWJHTLYSA-N 1 1 252.402 2.528 50 30 CFEAMO CCC#CC[N@H+]1CCN(c2ccc(OC)cc2)C[C@@H]1C ZINC000670434951 540993329 /nfs/dbraw/zinc/99/33/29/540993329.db2.gz DMQNNTPWDMCESL-HNNXBMFYSA-N 1 1 272.392 2.619 50 30 CFEAMO Cc1cc(C#N)c(N(C)CC[N@@H+](C)C2CCCC2)nc1C ZINC000670466639 541006451 /nfs/dbraw/zinc/00/64/51/541006451.db2.gz GAYBAIMFFTURJI-UHFFFAOYSA-N 1 1 286.423 2.881 50 30 CFEAMO COc1ccccc1OCC#CC[N@H+]1CCC[C@H](C)C1 ZINC000002862889 371761461 /nfs/dbraw/zinc/76/14/61/371761461.db2.gz NZWKOGWKHDUWSL-HNNXBMFYSA-N 1 1 273.376 2.809 50 30 CFEAMO O=C(Nc1cccc([N+](=O)[O-])c1)ONC1=[NH+]CCCCC1 ZINC000003170801 371778123 /nfs/dbraw/zinc/77/81/23/371778123.db2.gz DOJMHJMQTOZFDI-UHFFFAOYSA-N 1 1 292.295 2.620 50 30 CFEAMO O=C(ONC1=[NH+]CCCCC1)c1c(F)cccc1F ZINC000003242143 371783405 /nfs/dbraw/zinc/78/34/05/371783405.db2.gz WWQTZERXDLRFQX-UHFFFAOYSA-N 1 1 268.263 2.599 50 30 CFEAMO C[N@@H+]1CCc2c(C#N)c(/N=C/c3ccco3)sc2C1 ZINC000004859695 371876046 /nfs/dbraw/zinc/87/60/46/371876046.db2.gz IGLOPXCBSRROIJ-LZYBPNLTSA-N 1 1 271.345 2.951 50 30 CFEAMO C[N@H+]1CCc2c(C#N)c(/N=C/c3ccco3)sc2C1 ZINC000004859695 371876054 /nfs/dbraw/zinc/87/60/54/371876054.db2.gz IGLOPXCBSRROIJ-LZYBPNLTSA-N 1 1 271.345 2.951 50 30 CFEAMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC000012804090 371988379 /nfs/dbraw/zinc/98/83/79/371988379.db2.gz FOHZEYYBQOGBDX-UHFFFAOYSA-N 1 1 292.386 2.666 50 30 CFEAMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846827 372199663 /nfs/dbraw/zinc/19/96/63/372199663.db2.gz FKRGYEZKLGJVFO-LBPRGKRZSA-N 1 1 259.353 2.617 50 30 CFEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccco3)CC2)cc1 ZINC000033284387 372488682 /nfs/dbraw/zinc/48/86/82/372488682.db2.gz STQVDROTNWCOAX-QGOAFFKASA-N 1 1 283.375 2.740 50 30 CFEAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1ccccc1C#N ZINC000067851816 374009619 /nfs/dbraw/zinc/00/96/19/374009619.db2.gz FMMQLRKWXLYMEY-UHFFFAOYSA-N 1 1 282.391 2.963 50 30 CFEAMO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069869623 374105731 /nfs/dbraw/zinc/10/57/31/374105731.db2.gz CNAHLUPROIDEFL-NRFANRHFSA-N 1 1 298.411 2.798 50 30 CFEAMO C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000069869623 374105739 /nfs/dbraw/zinc/10/57/39/374105739.db2.gz CNAHLUPROIDEFL-NRFANRHFSA-N 1 1 298.411 2.798 50 30 CFEAMO C[C@H]1CN(c2ccccc2C#N)C(=O)C[N@@H+]1CC1CCCC1 ZINC000082134899 374728058 /nfs/dbraw/zinc/72/80/58/374728058.db2.gz KQPKSKHXXVRPQI-AWEZNQCLSA-N 1 1 297.402 2.786 50 30 CFEAMO C[C@H]1CN(c2ccccc2C#N)C(=O)C[N@H+]1CC1CCCC1 ZINC000082134899 374728064 /nfs/dbraw/zinc/72/80/64/374728064.db2.gz KQPKSKHXXVRPQI-AWEZNQCLSA-N 1 1 297.402 2.786 50 30 CFEAMO C[N@@H+](CCc1ccncc1)Cc1ccc(F)cc1C#N ZINC000095999373 375466238 /nfs/dbraw/zinc/46/62/38/375466238.db2.gz XJGXHMYESAKWJT-UHFFFAOYSA-N 1 1 269.323 2.767 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000097200506 375537587 /nfs/dbraw/zinc/53/75/87/375537587.db2.gz GRNAZCYYQQQGPR-QGZVFWFLSA-N 1 1 292.386 2.887 50 30 CFEAMO C[N@@H+](CCc1ccncc1)Cc1cc(C#N)cs1 ZINC000097113786 375524595 /nfs/dbraw/zinc/52/45/95/375524595.db2.gz LWDRXCMSBYYPAY-UHFFFAOYSA-N 1 1 257.362 2.689 50 30 CFEAMO CCCCCCC=C[N+](O)=N[C@H](COC)[C@@H](C)O ZINC000100307376 375617867 /nfs/dbraw/zinc/61/78/67/375617867.db2.gz BCPWSYQGYBTINM-IJXFRWFXSA-N 1 1 258.362 2.829 50 30 in-vitro CFEAMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000248090432 383210362 /nfs/dbraw/zinc/21/03/62/383210362.db2.gz CBSJLXSYVQUNEP-LSDHHAIUSA-N 1 1 289.423 2.546 50 30 CFEAMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C)ccc1F ZINC000244899777 533505992 /nfs/dbraw/zinc/50/59/92/533505992.db2.gz ZPYYWXQOZBURAA-UHFFFAOYSA-N 1 1 264.344 2.971 50 30 CFEAMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C)ccc1F ZINC000244899777 533505996 /nfs/dbraw/zinc/50/59/96/533505996.db2.gz ZPYYWXQOZBURAA-UHFFFAOYSA-N 1 1 264.344 2.971 50 30 CFEAMO CC[C@@H](C)NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013556343 393476885 /nfs/dbraw/zinc/47/68/85/393476885.db2.gz ATHVMPMAUINGHF-CQSZACIVSA-N 1 1 291.464 2.889 50 30 CFEAMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000071897372 393640823 /nfs/dbraw/zinc/64/08/23/393640823.db2.gz IMRZGMKDKBOXEH-MRXNPFEDSA-N 1 1 271.408 2.887 50 30 CFEAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000071897372 393640829 /nfs/dbraw/zinc/64/08/29/393640829.db2.gz IMRZGMKDKBOXEH-MRXNPFEDSA-N 1 1 271.408 2.887 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000071897372 393640834 /nfs/dbraw/zinc/64/08/34/393640834.db2.gz IMRZGMKDKBOXEH-MRXNPFEDSA-N 1 1 271.408 2.887 50 30 CFEAMO C=C(Cl)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046829 543090635 /nfs/dbraw/zinc/09/06/35/543090635.db2.gz IWXMXVBJFMSYEB-LBPRGKRZSA-N 1 1 284.831 2.709 50 30 CFEAMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000005092560 170065770 /nfs/dbraw/zinc/06/57/70/170065770.db2.gz AZBPRTGHNOEGDK-WBVHZDCISA-N 1 1 289.419 2.887 50 30 CFEAMO CC[C@H]1CCc2c(C#N)c(NC(=O)C[NH+](C)C)sc2C1 ZINC000006731007 170235561 /nfs/dbraw/zinc/23/55/61/170235561.db2.gz CKPFLOHZIXYVJN-JTQLQIEISA-N 1 1 291.420 2.635 50 30 CFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386058 170282130 /nfs/dbraw/zinc/28/21/30/170282130.db2.gz ATWWHHIJLCZMES-MJBXVCDLSA-N 1 1 285.391 2.863 50 30 CFEAMO C[NH+]1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000008828829 170356609 /nfs/dbraw/zinc/35/66/09/170356609.db2.gz FJTLBTQSROHZAD-UHFFFAOYSA-N 1 1 269.801 2.505 50 30 CFEAMO Cc1csc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000043532890 175062350 /nfs/dbraw/zinc/06/23/50/175062350.db2.gz OSKIGNPWPNNWTF-UHFFFAOYSA-N 1 1 298.415 2.645 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)cn1 ZINC000071799193 176265450 /nfs/dbraw/zinc/26/54/50/176265450.db2.gz NMTAFWZXDQVWGT-INIZCTEOSA-N 1 1 266.348 2.629 50 30 CFEAMO CC[C@@H](Oc1ccccc1)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000004978431 260016722 /nfs/dbraw/zinc/01/67/22/260016722.db2.gz XJBTUCSJEVXGHN-OAHLLOKOSA-N 1 1 298.342 2.708 50 30 CFEAMO C[N@H+](CCCc1ccccc1)CC(=O)Nc1nncs1 ZINC000048375135 260199049 /nfs/dbraw/zinc/19/90/49/260199049.db2.gz LAZINZFDATVENR-UHFFFAOYSA-N 1 1 290.392 2.691 50 30 CFEAMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1nncs1 ZINC000048375135 260199051 /nfs/dbraw/zinc/19/90/51/260199051.db2.gz LAZINZFDATVENR-UHFFFAOYSA-N 1 1 290.392 2.691 50 30 CFEAMO C[N@H+]1Cc2c(c(C#N)c(N)sc2=S)CC1(C)C ZINC000019204578 277207768 /nfs/dbraw/zinc/20/77/68/277207768.db2.gz ODMSIGLMMHCLIU-UHFFFAOYSA-N 1 1 265.407 2.698 50 30 CFEAMO O=C1C[C@H](c2ccco2)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12 ZINC000005201064 280274387 /nfs/dbraw/zinc/27/43/87/280274387.db2.gz CBZHXTFUQISHNY-XBFCOCLRSA-N 1 1 284.359 2.965 50 30 CFEAMO CC(C)(C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058393795 518505502 /nfs/dbraw/zinc/50/55/02/518505502.db2.gz IZUHALLNUGMLAX-INIZCTEOSA-N 1 1 299.418 2.707 50 30 CFEAMO C=CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000193329516 526664258 /nfs/dbraw/zinc/66/42/58/526664258.db2.gz GNRGSHHPSHTUCV-ALOPSCKCSA-N 1 1 256.393 2.958 50 30 CFEAMO CC(C)(C)C(=O)N1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000096445723 527570431 /nfs/dbraw/zinc/57/04/31/527570431.db2.gz WAAAEILKWCPJBK-UHFFFAOYSA-N 1 1 293.455 2.897 50 30 CFEAMO CC(C)c1[nH+]ccn1CCCNc1cc(C#N)ccn1 ZINC000952984053 614327706 /nfs/dbraw/zinc/32/77/06/614327706.db2.gz ZJYVEQJFKDEUGM-UHFFFAOYSA-N 1 1 269.352 2.775 50 30 CFEAMO C=C(C)C[N@H+](CC)C1CCN(C(=O)OCC)CC1 ZINC000000757865 651113861 /nfs/dbraw/zinc/11/38/61/651113861.db2.gz GKFVPVKQDSDDBQ-UHFFFAOYSA-N 1 1 254.374 2.505 50 30 CFEAMO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222683206 230398290 /nfs/dbraw/zinc/39/82/90/230398290.db2.gz RQKPNOYYEWOWLT-CABCVRRESA-N 1 1 286.335 2.505 50 30 CFEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1 ZINC000126044464 187213683 /nfs/dbraw/zinc/21/36/83/187213683.db2.gz YCYYVXIYNPKHHE-HNNXBMFYSA-N 1 1 283.375 2.812 50 30 CFEAMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1 ZINC000126044464 187213685 /nfs/dbraw/zinc/21/36/85/187213685.db2.gz YCYYVXIYNPKHHE-HNNXBMFYSA-N 1 1 283.375 2.812 50 30 CFEAMO C=C(Br)CN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000079014974 347285210 /nfs/dbraw/zinc/28/52/10/347285210.db2.gz JSDFVZLYBMHGLD-GFCCVEGCSA-N 1 1 275.234 2.559 50 30 CFEAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000110702346 186314412 /nfs/dbraw/zinc/31/44/12/186314412.db2.gz JZUDRBBKHZWUQT-QWHCGFSZSA-N 1 1 250.367 2.867 50 30 CFEAMO Cc1cc(C)n(CC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC000670467849 541007377 /nfs/dbraw/zinc/00/73/77/541007377.db2.gz HQGWAIQBRROLIP-UHFFFAOYSA-N 1 1 268.364 2.504 50 30 CFEAMO Cc1cc(C)n(CC[N@H+](C)Cc2ccccc2C#N)n1 ZINC000670467849 541007379 /nfs/dbraw/zinc/00/73/79/541007379.db2.gz HQGWAIQBRROLIP-UHFFFAOYSA-N 1 1 268.364 2.504 50 30 CFEAMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000076969663 541331940 /nfs/dbraw/zinc/33/19/40/541331940.db2.gz CYEJKPZQRWCQQQ-UHFFFAOYSA-N 1 1 292.386 2.666 50 30 CFEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000003565473 371810375 /nfs/dbraw/zinc/81/03/75/371810375.db2.gz UNSSSRNHMGEDBH-QWHCGFSZSA-N 1 1 271.364 2.617 50 30 CFEAMO C=CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012056159 371943294 /nfs/dbraw/zinc/94/32/94/371943294.db2.gz RNBBNJNVONLSKU-OAHLLOKOSA-N 1 1 292.810 2.997 50 30 CFEAMO C=CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012056159 371943301 /nfs/dbraw/zinc/94/33/01/371943301.db2.gz RNBBNJNVONLSKU-OAHLLOKOSA-N 1 1 292.810 2.997 50 30 CFEAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccccc1 ZINC000013478177 372029554 /nfs/dbraw/zinc/02/95/54/372029554.db2.gz BHUGEYWWNUWAAY-UWLOGMJLSA-N 1 1 260.337 2.560 50 30 CFEAMO CNC(=O)ONC(=[NH2+])Cc1csc2ccc(Cl)cc12 ZINC000015919712 372095150 /nfs/dbraw/zinc/09/51/50/372095150.db2.gz KHYWKBJYFQFLPT-UHFFFAOYSA-N 1 1 297.767 2.725 50 30 CFEAMO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1C#N ZINC000019846836 372200086 /nfs/dbraw/zinc/20/00/86/372200086.db2.gz HMUBDKDRJQRIDY-UHFFFAOYSA-N 1 1 259.353 2.619 50 30 CFEAMO C=C(C)C[N@@H+](C)CCC(=O)NC1CCCCCC1 ZINC000065466137 373875122 /nfs/dbraw/zinc/87/51/22/373875122.db2.gz ZXAIAVBYEYTXJA-UHFFFAOYSA-N 1 1 252.402 2.723 50 30 CFEAMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CCC(CO)CC1 ZINC000089924478 374969187 /nfs/dbraw/zinc/96/91/87/374969187.db2.gz PFRFNEPVBXAWAB-UHFFFAOYSA-N 1 1 276.355 2.680 50 30 CFEAMO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCSC1 ZINC000089937650 374973460 /nfs/dbraw/zinc/97/34/60/374973460.db2.gz GSFSLIRTPYVCOC-CYBMUJFWSA-N 1 1 250.342 2.635 50 30 CFEAMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCSC1 ZINC000089937650 374973465 /nfs/dbraw/zinc/97/34/65/374973465.db2.gz GSFSLIRTPYVCOC-CYBMUJFWSA-N 1 1 250.342 2.635 50 30 CFEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCC#N)C[C@@H]12 ZINC000108498839 375817610 /nfs/dbraw/zinc/81/76/10/375817610.db2.gz VCUYWHZLHSWDKW-MGPQQGTHSA-N 1 1 293.411 2.525 50 30 CFEAMO Cn1cc[nH+]c1CC1CCN(c2cccc(F)c2C#N)CC1 ZINC000105793583 375792617 /nfs/dbraw/zinc/79/26/17/375792617.db2.gz STPNGQNRJXFXAF-UHFFFAOYSA-N 1 1 298.365 2.890 50 30 CFEAMO C=C(Br)C[NH2+][C@H](COC)c1ccccc1 ZINC000181678429 380863432 /nfs/dbraw/zinc/86/34/32/380863432.db2.gz XHLAJCONBZAPHP-GFCCVEGCSA-N 1 1 270.170 2.872 50 30 CFEAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000215253592 382778205 /nfs/dbraw/zinc/77/82/05/382778205.db2.gz GNDXXUJMTNUJAH-INIZCTEOSA-N 1 1 258.365 2.949 50 30 CFEAMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1OC ZINC000225577932 382818570 /nfs/dbraw/zinc/81/85/70/382818570.db2.gz UXDRDPLQTSHOKJ-LBPRGKRZSA-N 1 1 297.358 2.821 50 30 CFEAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1ccc(C#N)o1 ZINC000248396818 383235164 /nfs/dbraw/zinc/23/51/64/383235164.db2.gz QPYPWNQMZWPQOC-RDTXWAMCSA-N 1 1 295.386 2.761 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1ccc(C#N)o1 ZINC000248396818 383235171 /nfs/dbraw/zinc/23/51/71/383235171.db2.gz QPYPWNQMZWPQOC-RDTXWAMCSA-N 1 1 295.386 2.761 50 30 CFEAMO C=C1C(=O)O[C@]2(C)C[N@H+](C)[C@@H](c3ccccc3)C[C@H]12 ZINC000252617573 383422395 /nfs/dbraw/zinc/42/23/95/383422395.db2.gz KWAFPAXUOFTRRO-IIAWOOMASA-N 1 1 257.333 2.551 50 30 CFEAMO COc1cccc(NC(=[NH2+])SCc2ccccn2)c1 ZINC000004115654 533391002 /nfs/dbraw/zinc/39/10/02/533391002.db2.gz ADBSUTUMPAYMLJ-UHFFFAOYSA-N 1 1 273.361 2.970 50 30 CFEAMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000268433064 132008534 /nfs/dbraw/zinc/00/85/34/132008534.db2.gz DOPMHGXLZZRMDP-SNPRPXQTSA-N 1 1 281.421 2.837 50 30 CFEAMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000268433064 132008536 /nfs/dbraw/zinc/00/85/36/132008536.db2.gz DOPMHGXLZZRMDP-SNPRPXQTSA-N 1 1 281.421 2.837 50 30 CFEAMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000069371636 393636426 /nfs/dbraw/zinc/63/64/26/393636426.db2.gz FTLPTELRLOKSHV-CYBMUJFWSA-N 1 1 294.830 2.936 50 30 CFEAMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000069371636 393636433 /nfs/dbraw/zinc/63/64/33/393636433.db2.gz FTLPTELRLOKSHV-CYBMUJFWSA-N 1 1 294.830 2.936 50 30 CFEAMO C=CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000075147468 393670108 /nfs/dbraw/zinc/67/01/08/393670108.db2.gz UEGYTXBBYRMOMM-UHFFFAOYSA-N 1 1 292.364 2.541 50 30 CFEAMO C(=NN1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000238950597 393796846 /nfs/dbraw/zinc/79/68/46/393796846.db2.gz YVWDYPMRNJTENU-UHFFFAOYSA-N 1 1 285.416 2.900 50 30 CFEAMO C(=NN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000238937233 393797021 /nfs/dbraw/zinc/79/70/21/393797021.db2.gz UOBZLUUOGDBSRF-UHFFFAOYSA-N 1 1 279.387 2.838 50 30 CFEAMO CN(C)/C=[NH+]/c1c(C#N)cnn1-c1nc2ccccc2s1 ZINC000101899697 393849663 /nfs/dbraw/zinc/84/96/63/393849663.db2.gz HESTXZQQCHZQCN-CXUHLZMHSA-N 1 1 296.359 2.575 50 30 CFEAMO Cc1ncc(C[N@@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000047259420 397584674 /nfs/dbraw/zinc/58/46/74/397584674.db2.gz NTFYJLPBNALDKJ-UHFFFAOYSA-N 1 1 287.388 2.834 50 30 CFEAMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000005092565 170065922 /nfs/dbraw/zinc/06/59/22/170065922.db2.gz AZBPRTGHNOEGDK-RDJZCZTQSA-N 1 1 289.419 2.887 50 30 CFEAMO Cc1cc([N+](=O)[O-])ccc1N=C1NC(=[NH2+])c2ccccc21 ZINC000004056603 274723313 /nfs/dbraw/zinc/72/33/13/274723313.db2.gz LENOKGWQFDDHLU-UHFFFAOYSA-N 1 1 280.287 2.700 50 30 CFEAMO C#CC[N@H+](Cc1ccn(C)c(=O)c1)[C@@H]1CCc2ccccc21 ZINC000052846226 518262848 /nfs/dbraw/zinc/26/28/48/518262848.db2.gz RUSOQLRHQYTLFJ-GOSISDBHSA-N 1 1 292.382 2.508 50 30 CFEAMO C=C(Cl)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000055105905 518649753 /nfs/dbraw/zinc/64/97/53/518649753.db2.gz UAJPQZKSDKXRNQ-UHFFFAOYSA-N 1 1 264.800 2.599 50 30 CFEAMO CC[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055232014 523491684 /nfs/dbraw/zinc/49/16/84/523491684.db2.gz PBBIQOCFTHAXMX-SJORKVTESA-N 1 1 272.392 2.773 50 30 CFEAMO CC[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055232014 523491697 /nfs/dbraw/zinc/49/16/97/523491697.db2.gz PBBIQOCFTHAXMX-SJORKVTESA-N 1 1 272.392 2.773 50 30 CFEAMO [NH2+]=C(NOC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000005044144 526809204 /nfs/dbraw/zinc/80/92/04/526809204.db2.gz QFNFIUVXYDEKSQ-UHFFFAOYSA-N 1 1 288.734 2.746 50 30 CFEAMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)COC ZINC000096468502 528765880 /nfs/dbraw/zinc/76/58/80/528765880.db2.gz XPEURCOUFVOHPU-LLVKDONJSA-N 1 1 250.317 2.554 50 30 CFEAMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)COC ZINC000096468502 528765884 /nfs/dbraw/zinc/76/58/84/528765884.db2.gz XPEURCOUFVOHPU-LLVKDONJSA-N 1 1 250.317 2.554 50 30 CFEAMO CCn1cc[nH+]c1[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000091603209 536118581 /nfs/dbraw/zinc/11/85/81/536118581.db2.gz KBTCFOKPXMTILZ-OAHLLOKOSA-N 1 1 295.390 2.862 50 30 CFEAMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nncn2CC)cc1 ZINC000952990936 613884723 /nfs/dbraw/zinc/88/47/23/613884723.db2.gz YFLQLQFZFDJMMI-ZDUSSCGKSA-N 1 1 286.379 2.714 50 30 CFEAMO [NH2+]=C(NOC(=O)Cc1cccs1)c1ccc(Cl)cc1 ZINC000003905229 230367887 /nfs/dbraw/zinc/36/78/87/230367887.db2.gz AUTVACUUHKYOTB-UHFFFAOYSA-N 1 1 294.763 2.808 50 30 CFEAMO C=CCOc1ccc(C[N@@H+](C)CC[C@H]2CCOC2=O)cc1 ZINC000079058609 347287098 /nfs/dbraw/zinc/28/70/98/347287098.db2.gz FJELOBRVBBGWHQ-HNNXBMFYSA-N 1 1 289.375 2.636 50 30 CFEAMO C#CC[N@@H+]1CC[C@](OC(=O)CC)(c2ccccc2)[C@H]1C ZINC000096026942 347700402 /nfs/dbraw/zinc/70/04/02/347700402.db2.gz KLGHDMOBCKWGTK-RHSMWYFYSA-N 1 1 271.360 2.563 50 30 CFEAMO C#CC[N@@H+]1CC[C@@](OC(=O)CC)(c2ccccc2)[C@H]1C ZINC000096026943 347700523 /nfs/dbraw/zinc/70/05/23/347700523.db2.gz KLGHDMOBCKWGTK-PBHICJAKSA-N 1 1 271.360 2.563 50 30 CFEAMO Cc1ccc(NC[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000097203784 347707010 /nfs/dbraw/zinc/70/70/10/347707010.db2.gz IFLUXMVICZVMDC-HOTGVXAUSA-N 1 1 297.406 2.567 50 30 CFEAMO Cc1ccc(NC[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)nc1 ZINC000097203784 347707013 /nfs/dbraw/zinc/70/70/13/347707013.db2.gz IFLUXMVICZVMDC-HOTGVXAUSA-N 1 1 297.406 2.567 50 30 CFEAMO Cc1c(C[N@H+](C)[C@@H](C)c2ccncc2)cc(C#N)n1C ZINC000195561898 348146900 /nfs/dbraw/zinc/14/69/00/348146900.db2.gz UMVRUUJIYIOKMN-LBPRGKRZSA-N 1 1 268.364 2.793 50 30 CFEAMO C/N=C1/C[C@H](c2ccccc2)[N@@H+](C)[C@@H]2CCCC[C@@]12O ZINC000230213722 348205134 /nfs/dbraw/zinc/20/51/34/348205134.db2.gz UOZWQLLTGAELFC-CSYPGBLZSA-N 1 1 272.392 2.808 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000091860195 180275754 /nfs/dbraw/zinc/27/57/54/180275754.db2.gz LKYWOONJYYZLSW-KRWDZBQOSA-N 1 1 293.382 2.985 50 30 CFEAMO C[C@@H](CC#N)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000612584508 351838923 /nfs/dbraw/zinc/83/89/23/351838923.db2.gz MXNXIUTZGUIDNK-VIFPVBQESA-N 1 1 258.243 2.977 50 30 CFEAMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)CCCC1 ZINC000055927899 283047792 /nfs/dbraw/zinc/04/77/92/283047792.db2.gz DEMPTNRBMKBPJY-OAHLLOKOSA-N 1 1 289.423 2.594 50 30 CFEAMO C[N@H+]1CCc2[nH]c(=S)c(C#N)c(-c3ccccc3)c2C1 ZINC000002489554 283177026 /nfs/dbraw/zinc/17/70/26/283177026.db2.gz YAVQOEYAMDXUCE-UHFFFAOYSA-N 1 1 281.384 2.897 50 30 CFEAMO C[C@]1(C#N)CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000670467423 541006836 /nfs/dbraw/zinc/00/68/36/541006836.db2.gz WTXHAQQOPXNLMU-QGZVFWFLSA-N 1 1 287.407 2.870 50 30 CFEAMO C[C@]1(C#N)CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000670467423 541006838 /nfs/dbraw/zinc/00/68/38/541006838.db2.gz WTXHAQQOPXNLMU-QGZVFWFLSA-N 1 1 287.407 2.870 50 30 CFEAMO C[C@@]1(C#N)CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000670467422 541006930 /nfs/dbraw/zinc/00/69/30/541006930.db2.gz WTXHAQQOPXNLMU-KRWDZBQOSA-N 1 1 287.407 2.870 50 30 CFEAMO C[C@@]1(C#N)CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000670467422 541006933 /nfs/dbraw/zinc/00/69/33/541006933.db2.gz WTXHAQQOPXNLMU-KRWDZBQOSA-N 1 1 287.407 2.870 50 30 CFEAMO CC[NH+]1CCN(c2oc(-c3ccc(C)cc3)nc2C#N)CC1 ZINC000000071075 371523407 /nfs/dbraw/zinc/52/34/07/371523407.db2.gz SRUQLPOCAJZASO-UHFFFAOYSA-N 1 1 296.374 2.664 50 30 CFEAMO C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N/OC(=O)c1ccccc1 ZINC000000244352 371568495 /nfs/dbraw/zinc/56/84/95/371568495.db2.gz BHUGEYWWNUWAAY-DDVQTAGUSA-N 1 1 260.337 2.560 50 30 CFEAMO CC[C@@]1(C)C[C@]2(CCC[N@H+](CC#CCN(C)C)C2)CCO1 ZINC000004023338 371829410 /nfs/dbraw/zinc/82/94/10/371829410.db2.gz YSTCJAQWGIWABF-ROUUACIJSA-N 1 1 292.467 2.613 50 30 CFEAMO CC[C@@]1(C)C[C@]2(CCC[N@@H+](CC#CCN(C)C)C2)CCO1 ZINC000004023338 371829414 /nfs/dbraw/zinc/82/94/14/371829414.db2.gz YSTCJAQWGIWABF-ROUUACIJSA-N 1 1 292.467 2.613 50 30 CFEAMO CN(C)/C=[NH+]/c1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC000004300533 371848811 /nfs/dbraw/zinc/84/88/11/371848811.db2.gz SCUYSBKEICMDIV-CXUHLZMHSA-N 1 1 273.727 2.619 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccccc2F)c1 ZINC000004958102 371878768 /nfs/dbraw/zinc/87/87/68/371878768.db2.gz MHWXCZMOLLFFLJ-UHFFFAOYSA-N 1 1 272.279 2.611 50 30 CFEAMO C[NH+]1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000013519372 372029660 /nfs/dbraw/zinc/02/96/60/372029660.db2.gz FSEKXQJZLXEYGA-UHFFFAOYSA-N 1 1 269.801 2.505 50 30 CFEAMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000032928728 372477830 /nfs/dbraw/zinc/47/78/30/372477830.db2.gz OWLFLFCXFHGILN-QGZVFWFLSA-N 1 1 271.408 2.864 50 30 CFEAMO C=CCOC[C@@H](O)C[N@H+](CCC)Cc1cccc(C)c1 ZINC000036100601 372557998 /nfs/dbraw/zinc/55/79/98/372557998.db2.gz YNMZNICBLXFKTF-KRWDZBQOSA-N 1 1 277.408 2.771 50 30 CFEAMO C=CCOC[C@H](O)C[N@H+](CCC)Cc1cccc(C)c1 ZINC000036100603 372559034 /nfs/dbraw/zinc/55/90/34/372559034.db2.gz YNMZNICBLXFKTF-QGZVFWFLSA-N 1 1 277.408 2.771 50 30 CFEAMO C[C@H](CC#N)[NH2+]Cc1cccc(Br)c1 ZINC000042418960 372921837 /nfs/dbraw/zinc/92/18/37/372921837.db2.gz LRDDANAEXYSUQZ-SECBINFHSA-N 1 1 253.143 2.841 50 30 CFEAMO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000048366624 373170647 /nfs/dbraw/zinc/17/06/47/373170647.db2.gz JTSOIENICMCGJS-LBPRGKRZSA-N 1 1 267.394 2.659 50 30 CFEAMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000048366624 373170654 /nfs/dbraw/zinc/17/06/54/373170654.db2.gz JTSOIENICMCGJS-LBPRGKRZSA-N 1 1 267.394 2.659 50 30 CFEAMO C=CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCC1 ZINC000071792420 374226020 /nfs/dbraw/zinc/22/60/20/374226020.db2.gz WDUWHSVKIKKGRW-UHFFFAOYSA-N 1 1 278.356 2.796 50 30 CFEAMO C=CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCC1 ZINC000071792420 374226030 /nfs/dbraw/zinc/22/60/30/374226030.db2.gz WDUWHSVKIKKGRW-UHFFFAOYSA-N 1 1 278.356 2.796 50 30 CFEAMO C[N@@H+](CCc1ccncc1)Cc1ccc(F)c(C#N)c1 ZINC000097051119 375504409 /nfs/dbraw/zinc/50/44/09/375504409.db2.gz XVYYVPMOPMGZOI-UHFFFAOYSA-N 1 1 269.323 2.767 50 30 CFEAMO CCCCCCC=C[N+](O)=N[C@@H](COC)[C@@H](C)O ZINC000100307370 375618195 /nfs/dbraw/zinc/61/81/95/375618195.db2.gz BCPWSYQGYBTINM-MIODYRIUSA-N 1 1 258.362 2.829 50 30 in-vitro CFEAMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCOC1 ZINC000104194856 375773987 /nfs/dbraw/zinc/77/39/87/375773987.db2.gz HSEPXWMBNBEYRU-ZDUSSCGKSA-N 1 1 262.328 2.556 50 30 CFEAMO Cn1nccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000330033325 378520051 /nfs/dbraw/zinc/52/00/51/378520051.db2.gz ZDFGZLAZBIJHGK-UHFFFAOYSA-N 1 1 292.770 2.771 50 30 CFEAMO C=C(C)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195260861 382765706 /nfs/dbraw/zinc/76/57/06/382765706.db2.gz NIEBJQOMSCNBGT-CQSZACIVSA-N 1 1 279.453 2.781 50 30 CFEAMO C[N@@H+](CC[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000215253639 382778028 /nfs/dbraw/zinc/77/80/28/382778028.db2.gz GNDXXUJMTNUJAH-MRXNPFEDSA-N 1 1 258.365 2.949 50 30 CFEAMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000215476623 382779109 /nfs/dbraw/zinc/77/91/09/382779109.db2.gz ZRAYGNWTUDMANS-CQSZACIVSA-N 1 1 299.418 2.637 50 30 CFEAMO C[NH+]1CCN(N=Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000252461084 383408878 /nfs/dbraw/zinc/40/88/78/383408878.db2.gz KIYSHYZINRZPMH-UHFFFAOYSA-N 1 1 272.179 2.575 50 30 CFEAMO COc1cccc(C(=[NH2+])NOC(=O)c2cc(C)ccc2C)c1 ZINC000012655404 533384017 /nfs/dbraw/zinc/38/40/17/533384017.db2.gz SYZGBNKJEZARBM-UHFFFAOYSA-N 1 1 298.342 2.789 50 30 CFEAMO C[C@](O)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)C1CC1 ZINC000245226013 131083923 /nfs/dbraw/zinc/08/39/23/131083923.db2.gz DGDQAXYQNZLNJU-ROUUACIJSA-N 1 1 284.403 2.773 50 30 CFEAMO C[C@](O)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)C1CC1 ZINC000245226013 131083924 /nfs/dbraw/zinc/08/39/24/131083924.db2.gz DGDQAXYQNZLNJU-ROUUACIJSA-N 1 1 284.403 2.773 50 30 CFEAMO C#CCOC[C@H](O)C[N@H+](CCC)Cc1cc(C)ccc1C ZINC000036097456 393521827 /nfs/dbraw/zinc/52/18/27/393521827.db2.gz ZEXOYEOJOMSACQ-GOSISDBHSA-N 1 1 289.419 2.526 50 30 CFEAMO CCC[N@H+](CC#Cc1ccccc1)Cc1cc(C)n[nH]1 ZINC000055182547 393620700 /nfs/dbraw/zinc/62/07/00/393620700.db2.gz FGFSRMPGBBDAPH-UHFFFAOYSA-N 1 1 267.376 2.982 50 30 CFEAMO CCC[N@@H+](CC#Cc1ccccc1)Cc1cc(C)n[nH]1 ZINC000055182547 393620706 /nfs/dbraw/zinc/62/07/06/393620706.db2.gz FGFSRMPGBBDAPH-UHFFFAOYSA-N 1 1 267.376 2.982 50 30 CFEAMO C=CCC(O)(CC=C)C[NH2+]C[C@@H]1CCCN2CCCC[C@H]12 ZINC000063855510 393629890 /nfs/dbraw/zinc/62/98/90/393629890.db2.gz CFPCVYYMBQNEIU-DLBZAZTESA-N 1 1 292.467 2.724 50 30 CFEAMO C=CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000218551580 393758217 /nfs/dbraw/zinc/75/82/17/393758217.db2.gz KIIAUJWALROYOP-MRXNPFEDSA-N 1 1 272.392 2.629 50 30 CFEAMO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000046517819 175397737 /nfs/dbraw/zinc/39/77/37/175397737.db2.gz UCSMYCGHBXVRBJ-UHFFFAOYSA-N 1 1 294.354 2.977 50 30 CFEAMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000071904387 176295108 /nfs/dbraw/zinc/29/51/08/176295108.db2.gz MNSDUPKEEQQAOT-SFHVURJKSA-N 1 1 296.370 2.732 50 30 CFEAMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cccc(C#N)c1 ZINC000078253982 177328910 /nfs/dbraw/zinc/32/89/10/177328910.db2.gz SBBISCZKDNMLGU-HNNXBMFYSA-N 1 1 272.348 2.589 50 30 CFEAMO C=CC[N@H+]1CCC[C@H]1C(=O)NC1(Cc2ccccc2)CC1 ZINC000534631776 328331800 /nfs/dbraw/zinc/33/18/00/328331800.db2.gz PQZQOHVGQAHDLJ-INIZCTEOSA-N 1 1 284.403 2.528 50 30 CFEAMO N#CCCOCCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055382701 526463841 /nfs/dbraw/zinc/46/38/41/526463841.db2.gz WFOPXJCHESDCGB-GOSISDBHSA-N 1 1 297.402 2.932 50 30 biogenic,in-vitro CFEAMO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000670452448 570400662 /nfs/dbraw/zinc/40/06/62/570400662.db2.gz ZTNPVZWMBXLOQR-QGZVFWFLSA-N 1 1 280.375 2.998 50 30 CFEAMO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000670452448 570400665 /nfs/dbraw/zinc/40/06/65/570400665.db2.gz ZTNPVZWMBXLOQR-QGZVFWFLSA-N 1 1 280.375 2.998 50 30 CFEAMO C[N@@H+](Cc1c[nH]c(C#N)c1)[C@@H](c1ccccn1)C1CC1 ZINC000952984907 616164349 /nfs/dbraw/zinc/16/43/49/616164349.db2.gz CHAAIPANIUXBCR-MRXNPFEDSA-N 1 1 266.348 2.864 50 30 CFEAMO CC[N@H+]1CC[C@H](Nc2nc(C(C)C)ccc2C#N)C1 ZINC000823104898 781921667 /nfs/dbraw/zinc/92/16/67/781921667.db2.gz JJFWRRGAGIZLAG-ZDUSSCGKSA-N 1 1 258.369 2.583 50 30 CFEAMO C=CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCOC2=O)cc1 ZINC000079058601 347287066 /nfs/dbraw/zinc/28/70/66/347287066.db2.gz FJELOBRVBBGWHQ-OAHLLOKOSA-N 1 1 289.375 2.636 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000091695412 180228724 /nfs/dbraw/zinc/22/87/24/180228724.db2.gz JUKVIOWAHYQEMR-KRWDZBQOSA-N 1 1 270.376 2.709 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@]1(O)C1CCC1 ZINC000091819446 180263904 /nfs/dbraw/zinc/26/39/04/180263904.db2.gz FKUZHPJJFSFDMD-DYVFJYSZSA-N 1 1 270.376 2.541 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000042251259 283141604 /nfs/dbraw/zinc/14/16/04/283141604.db2.gz KDKRRQORUZOKFU-HOTGVXAUSA-N 1 1 256.349 2.702 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000230251063 283141648 /nfs/dbraw/zinc/14/16/48/283141648.db2.gz KDKRRQORUZOKFU-HZPDHXFCSA-N 1 1 256.349 2.702 50 30 CFEAMO C[C@@H](CCc1ccccc1)[N@H+]1CCCn2nc(C#N)cc2C1 ZINC000670458618 541002123 /nfs/dbraw/zinc/00/21/23/541002123.db2.gz YQROHYZZDWUZBM-HNNXBMFYSA-N 1 1 294.402 2.982 50 30 CFEAMO N#Cc1ccsc1NC(=O)C[NH+]1CCCCCCC1 ZINC000003538910 371808265 /nfs/dbraw/zinc/80/82/65/371808265.db2.gz FKTBMWQNUJGWNR-UHFFFAOYSA-N 1 1 277.393 2.824 50 30 CFEAMO [NH2+]=C(NOC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000004200246 371840812 /nfs/dbraw/zinc/84/08/12/371840812.db2.gz FEZMNZAMHCKNQD-UHFFFAOYSA-N 1 1 280.736 2.879 50 30 CFEAMO C=CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012703980 371980834 /nfs/dbraw/zinc/98/08/34/371980834.db2.gz LOVBGKQCRRJWHY-OAHLLOKOSA-N 1 1 264.413 2.723 50 30 CFEAMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000014094694 372058971 /nfs/dbraw/zinc/05/89/71/372058971.db2.gz KKAHBRWAAAHRPE-MRXNPFEDSA-N 1 1 294.354 2.830 50 30 CFEAMO CC(=O)c1cccc(N=C2NC(=[NH2+])c3ccccc32)c1 ZINC000018058781 372139493 /nfs/dbraw/zinc/13/94/93/372139493.db2.gz XLMCLYWFSMPDMH-UHFFFAOYSA-N 1 1 263.300 2.686 50 30 CFEAMO Cc1ccccc1C(=[NH2+])NOC(=O)c1ccc(F)cc1 ZINC000018251052 372145838 /nfs/dbraw/zinc/14/58/38/372145838.db2.gz BNZZUTRLIVZWMZ-UHFFFAOYSA-N 1 1 272.279 2.611 50 30 CFEAMO C=CCc1cccc(C)c1OCCCN1CC[NH+](C)CC1 ZINC000020117963 372231966 /nfs/dbraw/zinc/23/19/66/372231966.db2.gz WKKJAHGBWPRCBT-UHFFFAOYSA-N 1 1 288.435 2.740 50 30 CFEAMO N#CCC[C@@H](C#N)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000025304125 372293897 /nfs/dbraw/zinc/29/38/97/372293897.db2.gz IRXCQCOBLRAUHV-SFHVURJKSA-N 1 1 296.418 2.638 50 30 CFEAMO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccccc2)c(C#N)c1C ZINC000025948603 372311095 /nfs/dbraw/zinc/31/10/95/372311095.db2.gz YBRJNYREHUCKGR-UHFFFAOYSA-N 1 1 297.358 2.839 50 30 CFEAMO Cc1oc(NC(=O)C[N@H+](C)Cc2ccccc2)c(C#N)c1C ZINC000025948603 372311097 /nfs/dbraw/zinc/31/10/97/372311097.db2.gz YBRJNYREHUCKGR-UHFFFAOYSA-N 1 1 297.358 2.839 50 30 CFEAMO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000042220672 372888211 /nfs/dbraw/zinc/88/82/11/372888211.db2.gz JHPOMPDJWLXTEN-GHMZBOCLSA-N 1 1 266.772 2.681 50 30 CFEAMO CC#CC[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000065383849 373861553 /nfs/dbraw/zinc/86/15/53/373861553.db2.gz BILGGSSVDZXVFI-UHFFFAOYSA-N 1 1 277.371 2.985 50 30 CFEAMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076017035 374519853 /nfs/dbraw/zinc/51/98/53/374519853.db2.gz ZKXUPUWORCOJLV-GFCCVEGCSA-N 1 1 254.374 2.552 50 30 CFEAMO C=CCOc1ccc(C[N@H+](C)CC2(O)CCC2)cc1 ZINC000079096591 374593638 /nfs/dbraw/zinc/59/36/38/374593638.db2.gz KSPKOZAORHPZDS-UHFFFAOYSA-N 1 1 261.365 2.598 50 30 CFEAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000097288851 375548156 /nfs/dbraw/zinc/54/81/56/375548156.db2.gz OPRNHYDUTAQYTA-HNNXBMFYSA-N 1 1 280.375 2.916 50 30 CFEAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000097288851 375548162 /nfs/dbraw/zinc/54/81/62/375548162.db2.gz OPRNHYDUTAQYTA-HNNXBMFYSA-N 1 1 280.375 2.916 50 30 CFEAMO C=CC[N@H+](C[C@@H]1C(C)=CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000191056518 382689663 /nfs/dbraw/zinc/68/96/63/382689663.db2.gz JBSFWONWUVKEQT-BZUAXINKSA-N 1 1 297.464 2.654 50 30 CFEAMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000215476575 382779120 /nfs/dbraw/zinc/77/91/20/382779120.db2.gz ZRAYGNWTUDMANS-AWEZNQCLSA-N 1 1 299.418 2.637 50 30 CFEAMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000225587427 382818391 /nfs/dbraw/zinc/81/83/91/382818391.db2.gz KAQAXOJCJHLXSU-ZDUSSCGKSA-N 1 1 267.332 2.722 50 30 CFEAMO Fc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000245232564 382997124 /nfs/dbraw/zinc/99/71/24/382997124.db2.gz XQWPPFJWBZMAGP-UHFFFAOYSA-N 1 1 297.377 2.977 50 30 CFEAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000585116999 383115392 /nfs/dbraw/zinc/11/53/92/383115392.db2.gz ONLXKGDMQAMUDU-HUUCEWRRSA-N 1 1 291.439 2.697 50 30 CFEAMO CC#CCC[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000253429922 131142836 /nfs/dbraw/zinc/14/28/36/131142836.db2.gz VTUNNYCRPAYWEH-UHFFFAOYSA-N 1 1 255.361 2.703 50 30 CFEAMO C=CCn1cc(C[N@@H+](C)CCC[C@H]2CCCO2)c(C)n1 ZINC000055198968 393620882 /nfs/dbraw/zinc/62/08/82/393620882.db2.gz PXSCLPAXTMSGFT-INIZCTEOSA-N 1 1 277.412 2.769 50 30 CFEAMO C=CCOc1ccccc1C[N@@H+]1CCCn2cncc2C1 ZINC000072149043 393642199 /nfs/dbraw/zinc/64/21/99/393642199.db2.gz LEPZHQLEPJLYIW-UHFFFAOYSA-N 1 1 283.375 2.854 50 30 CFEAMO C=CCOc1ccccc1C[N@H+]1CCCn2cncc2C1 ZINC000072149043 393642201 /nfs/dbraw/zinc/64/22/01/393642201.db2.gz LEPZHQLEPJLYIW-UHFFFAOYSA-N 1 1 283.375 2.854 50 30 CFEAMO [NH2+]=C1NC(N=Nc2nc3c(s2)CCCC3)c2ccccc21 ZINC000008381887 170334313 /nfs/dbraw/zinc/33/43/13/170334313.db2.gz VUCGSGWWTZXBDZ-UHFFFAOYSA-N 1 1 297.387 2.515 50 30 CFEAMO N#Cc1ccccc1-c1ccc(CN2CC[C@H](C[NH3+])C2)o1 ZINC000071681960 176245309 /nfs/dbraw/zinc/24/53/09/176245309.db2.gz XQSNDDYQDSNISK-CYBMUJFWSA-N 1 1 281.359 2.599 50 30 CFEAMO CC(C)(C)OC(=O)C1([NH2+]CCCCC#N)CCCC1 ZINC000077317896 177252181 /nfs/dbraw/zinc/25/21/81/177252181.db2.gz TVVPKTOSCGAPHB-UHFFFAOYSA-N 1 1 266.385 2.924 50 30 CFEAMO C=C(C)CSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000005112120 518626721 /nfs/dbraw/zinc/62/67/21/518626721.db2.gz VGBGVNWVPSZGST-LBPRGKRZSA-N 1 1 275.377 2.980 50 30 CFEAMO C=CC[N@H+](Cc1ccco1)Cc1ccc(C#CCO)s1 ZINC000055414652 518787585 /nfs/dbraw/zinc/78/75/85/518787585.db2.gz HNLBNLHZJGZZQV-UHFFFAOYSA-N 1 1 287.384 2.873 50 30 CFEAMO C=CC[N@@H+](Cc1ccco1)Cc1ccc(C#CCO)s1 ZINC000055414652 518787591 /nfs/dbraw/zinc/78/75/91/518787591.db2.gz HNLBNLHZJGZZQV-UHFFFAOYSA-N 1 1 287.384 2.873 50 30 CFEAMO N#CCCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055504447 526445619 /nfs/dbraw/zinc/44/56/19/526445619.db2.gz MOVZWHYOACXREN-UHFFFAOYSA-N 1 1 275.371 2.637 50 30 CFEAMO N#CCCCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000055504447 526445623 /nfs/dbraw/zinc/44/56/23/526445623.db2.gz MOVZWHYOACXREN-UHFFFAOYSA-N 1 1 275.371 2.637 50 30 CFEAMO N#CCCCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000055504447 526445629 /nfs/dbraw/zinc/44/56/29/526445629.db2.gz MOVZWHYOACXREN-UHFFFAOYSA-N 1 1 275.371 2.637 50 30 CFEAMO N#Cc1ncccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309697164 526793040 /nfs/dbraw/zinc/79/30/40/526793040.db2.gz FIYWYEUJKKGZGT-INIZCTEOSA-N 1 1 292.386 2.887 50 30 CFEAMO C=CC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000096487667 527577619 /nfs/dbraw/zinc/57/76/19/527577619.db2.gz KKNKQDPQRFKJQR-GFCCVEGCSA-N 1 1 270.170 2.600 50 30 CFEAMO C=C(C)CN(CC)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000065423446 777585943 /nfs/dbraw/zinc/58/59/43/777585943.db2.gz PCHTTWDKRRYQIZ-AWEZNQCLSA-N 1 1 252.402 2.533 50 30 CFEAMO C=CCn1ncc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1C ZINC000820505368 781869167 /nfs/dbraw/zinc/86/91/67/781869167.db2.gz VOHASFDRUJAHHP-GASCZTMLSA-N 1 1 257.381 2.776 50 30 CFEAMO Cc1cccc(NC2CCN(C[C@@H](C#N)CCC#N)CC2)[nH+]1 ZINC000096483348 230380971 /nfs/dbraw/zinc/38/09/71/230380971.db2.gz RZACZNRHQNQAPV-OAHLLOKOSA-N 1 1 297.406 2.710 50 30 CFEAMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000078563017 347261518 /nfs/dbraw/zinc/26/15/18/347261518.db2.gz DLYNPVLESOAJNT-ZDUSSCGKSA-N 1 1 275.371 2.865 50 30 CFEAMO C/N=C1\C[C@H](c2ccccc2)[N@@H+](C)[C@@H]2CCCC[C@@]12O ZINC000230213725 348205178 /nfs/dbraw/zinc/20/51/78/348205178.db2.gz UOZWQLLTGAELFC-BCHISEEMSA-N 1 1 272.392 2.808 50 30 CFEAMO Cc1ncccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000237605332 348241902 /nfs/dbraw/zinc/24/19/02/348241902.db2.gz OMFQRJOOLZRJAY-UHFFFAOYSA-N 1 1 255.296 2.691 50 30 CFEAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000091745618 180245375 /nfs/dbraw/zinc/24/53/75/180245375.db2.gz QZAFAGUFWSVRPW-MRXNPFEDSA-N 1 1 258.365 2.543 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000092021137 180307867 /nfs/dbraw/zinc/30/78/67/180307867.db2.gz RQDHTFXSGGZUSO-KRWDZBQOSA-N 1 1 275.392 2.846 50 30 CFEAMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccn1C ZINC000611393330 351681245 /nfs/dbraw/zinc/68/12/45/351681245.db2.gz CJIBBABWDSAKIO-NWDGAFQWSA-N 1 1 254.337 2.704 50 30 CFEAMO N#Cc1c(N)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019595319 283078553 /nfs/dbraw/zinc/07/85/53/283078553.db2.gz BWNBNBHFRHCKTK-UHFFFAOYSA-N 1 1 269.373 2.760 50 30 CFEAMO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000585090157 540461219 /nfs/dbraw/zinc/46/12/19/540461219.db2.gz OPJYJKOGMKSITR-RFQIPJPRSA-N 1 1 252.402 2.528 50 30 CFEAMO N#Cc1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023249320 372256870 /nfs/dbraw/zinc/25/68/70/372256870.db2.gz FQXFLLHUSCOWJL-UHFFFAOYSA-N 1 1 297.427 2.938 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000032830808 372466628 /nfs/dbraw/zinc/46/66/28/372466628.db2.gz XENIWERYMMOVIK-WMLDXEAASA-N 1 1 287.407 2.561 50 30 CFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)[C@@H](C)CC ZINC000036098790 372558642 /nfs/dbraw/zinc/55/86/42/372558642.db2.gz RENDZXRTPNPQAU-WMZOPIPTSA-N 1 1 289.419 2.606 50 30 CFEAMO C#CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1cccs1 ZINC000036096694 372558911 /nfs/dbraw/zinc/55/89/11/372558911.db2.gz BIRPZMXBSMLYTH-OAHLLOKOSA-N 1 1 295.448 2.607 50 30 CFEAMO Cc1ccc(NCCCNc2ncccc2C#N)[nH+]c1 ZINC000058168516 373629799 /nfs/dbraw/zinc/62/97/99/373629799.db2.gz HQQNZWBVKBULSQ-UHFFFAOYSA-N 1 1 267.336 2.571 50 30 CFEAMO CN(CCC#N)C(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000058179943 373632182 /nfs/dbraw/zinc/63/21/82/373632182.db2.gz KXHBICQBWVCERB-QGZVFWFLSA-N 1 1 297.402 2.510 50 30 CFEAMO CC(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000067817841 374004248 /nfs/dbraw/zinc/00/42/48/374004248.db2.gz NLXVEKIPJBGQGK-QGZVFWFLSA-N 1 1 299.418 2.542 50 30 CFEAMO C[N@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000069566613 374074926 /nfs/dbraw/zinc/07/49/26/374074926.db2.gz PPEKUNVUKQDLNF-UHFFFAOYSA-N 1 1 276.343 2.838 50 30 CFEAMO C[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000069566613 374074932 /nfs/dbraw/zinc/07/49/32/374074932.db2.gz PPEKUNVUKQDLNF-UHFFFAOYSA-N 1 1 276.343 2.838 50 30 CFEAMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000069950208 374111286 /nfs/dbraw/zinc/11/12/86/374111286.db2.gz LLJPFIFZTXOEKX-OAHLLOKOSA-N 1 1 284.338 2.558 50 30 CFEAMO N#CCCCC[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069845293 374104322 /nfs/dbraw/zinc/10/43/22/374104322.db2.gz IKVGIARBYGTZPA-UHFFFAOYSA-N 1 1 297.406 2.769 50 30 CFEAMO C=C(Br)C[N@@H+]1CCCC[C@H]1[C@H](O)CC ZINC000076325275 374546913 /nfs/dbraw/zinc/54/69/13/374546913.db2.gz GLYRTCCVBLPCBX-WDEREUQCSA-N 1 1 262.191 2.520 50 30 CFEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)[nH]n1 ZINC000089599058 374928248 /nfs/dbraw/zinc/92/82/48/374928248.db2.gz ZANCZXDJKLAARO-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000089599058 374928254 /nfs/dbraw/zinc/92/82/54/374928254.db2.gz ZANCZXDJKLAARO-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000089599058 374928258 /nfs/dbraw/zinc/92/82/58/374928258.db2.gz ZANCZXDJKLAARO-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO CS[C@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093869557 375325412 /nfs/dbraw/zinc/32/54/12/375325412.db2.gz JZUDRBBKHZWUQT-OLZOCXBDSA-N 1 1 250.367 2.867 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000097200505 375536535 /nfs/dbraw/zinc/53/65/35/375536535.db2.gz GRNAZCYYQQQGPR-KRWDZBQOSA-N 1 1 292.386 2.887 50 30 CFEAMO N#Cc1ccccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000097547787 375568089 /nfs/dbraw/zinc/56/80/89/375568089.db2.gz ISNKQSSKIUYYDK-UHFFFAOYSA-N 1 1 270.376 2.951 50 30 CFEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000217673236 382787593 /nfs/dbraw/zinc/78/75/93/382787593.db2.gz UNSSSRNHMGEDBH-CHWSQXEVSA-N 1 1 271.364 2.617 50 30 CFEAMO N#Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000222442779 382801745 /nfs/dbraw/zinc/80/17/45/382801745.db2.gz MFMRRQZXBVZWQR-OAHLLOKOSA-N 1 1 297.402 2.553 50 30 CFEAMO C=CCc1cc(CN2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])ccc1OC ZINC000426677432 383408830 /nfs/dbraw/zinc/40/88/30/383408830.db2.gz IJPNNIUNHIAZHA-VQFNDLOPSA-N 1 1 286.419 2.593 50 30 CFEAMO CC1(C)CC(NCc2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000020143330 171029158 /nfs/dbraw/zinc/02/91/58/171029158.db2.gz REDYNFHTORUMNK-UHFFFAOYSA-N 1 1 271.408 2.957 50 30 CFEAMO C#CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1ccccc1 ZINC000040134919 174193782 /nfs/dbraw/zinc/19/37/82/174193782.db2.gz UTFOHNKVRSLTBZ-MRXNPFEDSA-N 1 1 270.376 2.673 50 30 CFEAMO C#CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccccc1 ZINC000040134919 174193784 /nfs/dbraw/zinc/19/37/84/174193784.db2.gz UTFOHNKVRSLTBZ-MRXNPFEDSA-N 1 1 270.376 2.673 50 30 CFEAMO C#CC[N@H+]1CCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000040134920 174193945 /nfs/dbraw/zinc/19/39/45/174193945.db2.gz UTFOHNKVRSLTBZ-INIZCTEOSA-N 1 1 270.376 2.673 50 30 CFEAMO C#CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000040134920 174193947 /nfs/dbraw/zinc/19/39/47/174193947.db2.gz UTFOHNKVRSLTBZ-INIZCTEOSA-N 1 1 270.376 2.673 50 30 CFEAMO Cc1ccc(NCCCNc2nnc(C)c(C)c2C#N)[nH+]c1 ZINC000040555560 174331021 /nfs/dbraw/zinc/33/10/21/174331021.db2.gz XIOYNHWSDHKCJF-UHFFFAOYSA-N 1 1 296.378 2.583 50 30 CFEAMO C=C(Cl)C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000078823320 177394129 /nfs/dbraw/zinc/39/41/29/177394129.db2.gz KQUKFGSVCWWYHX-SNVBAGLBSA-N 1 1 267.756 2.861 50 30 CFEAMO C[N@@H+](CCCc1ccccc1)CC(=O)NC1(C#N)CCCC1 ZINC000040105862 260174455 /nfs/dbraw/zinc/17/44/55/260174455.db2.gz RFBDKQFTECBYNX-UHFFFAOYSA-N 1 1 299.418 2.504 50 30 CFEAMO COc1ccccc1C[N@@H+](CCCC#N)C[C@H]1CCCO1 ZINC000045944883 260192985 /nfs/dbraw/zinc/19/29/85/260192985.db2.gz HEVNCRGJHHNCRM-MRXNPFEDSA-N 1 1 288.391 2.980 50 30 CFEAMO C#CC(C)(C)[N@@H+]1CC[C@@](O)(c2ccccc2)[C@@H](C)C1 ZINC000015188349 275378981 /nfs/dbraw/zinc/37/89/81/275378981.db2.gz VLPZXHXIPQDJKJ-YOEHRIQHSA-N 1 1 257.377 2.628 50 30 CFEAMO C#CC[N@@H+](Cc1ccnn1C)[C@H]1CCc2ccccc21 ZINC000127545908 275381593 /nfs/dbraw/zinc/38/15/93/275381593.db2.gz MBRJXDAYSNXRIL-KRWDZBQOSA-N 1 1 265.360 2.543 50 30 CFEAMO C#CC[N@H+](Cc1ccnn1C)[C@H]1CCc2ccccc21 ZINC000127545908 275381594 /nfs/dbraw/zinc/38/15/94/275381594.db2.gz MBRJXDAYSNXRIL-KRWDZBQOSA-N 1 1 265.360 2.543 50 30 CFEAMO CCOC(=O)c1c(/[NH+]=C/N(C)C)sc2c1CCC2 ZINC000100840260 276296274 /nfs/dbraw/zinc/29/62/74/276296274.db2.gz AEZXGOOZIUWETC-RIYZIHGNSA-N 1 1 266.366 2.635 50 30 CFEAMO C[C@](O)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)C1CC1 ZINC000055095259 525155346 /nfs/dbraw/zinc/15/53/46/525155346.db2.gz DGDQAXYQNZLNJU-MSOLQXFVSA-N 1 1 284.403 2.773 50 30 CFEAMO C[C@](O)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)C1CC1 ZINC000055095259 525155358 /nfs/dbraw/zinc/15/53/58/525155358.db2.gz DGDQAXYQNZLNJU-MSOLQXFVSA-N 1 1 284.403 2.773 50 30 CFEAMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000089580287 620035781 /nfs/dbraw/zinc/03/57/81/620035781.db2.gz PRECNOFBIKHVFH-UHFFFAOYSA-N 1 1 296.798 2.843 50 30 CFEAMO CC#CCC[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000095943134 185037280 /nfs/dbraw/zinc/03/72/80/185037280.db2.gz ZQMCTAOWCPWTJM-AWEZNQCLSA-N 1 1 280.412 2.779 50 30 CFEAMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1OC ZINC000095982269 185053674 /nfs/dbraw/zinc/05/36/74/185053674.db2.gz AGSDRIYEXMWSQT-OAHLLOKOSA-N 1 1 291.391 2.607 50 30 CFEAMO CCC[N@@H+](C)CCC(=O)N[C@H](C#N)c1cccc(Cl)c1 ZINC000075137395 347058299 /nfs/dbraw/zinc/05/82/99/347058299.db2.gz RAJYGUOZMHVVKI-CQSZACIVSA-N 1 1 293.798 2.753 50 30 CFEAMO N#CCC[N@@H+](CCC1CCCC1)C[C@@H]1CCOC1 ZINC000078876493 347278145 /nfs/dbraw/zinc/27/81/45/347278145.db2.gz NUXNFCYCIXEEJM-HNNXBMFYSA-N 1 1 250.386 2.819 50 30 CFEAMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000091745617 180244929 /nfs/dbraw/zinc/24/49/29/180244929.db2.gz QZAFAGUFWSVRPW-INIZCTEOSA-N 1 1 258.365 2.543 50 30 CFEAMO CC(C)(C#N)c1ccc(C[NH+]2CC(n3cccn3)C2)cc1 ZINC000614167305 352055798 /nfs/dbraw/zinc/05/57/98/352055798.db2.gz LCNZCDFANFROTK-UHFFFAOYSA-N 1 1 280.375 2.741 50 30 CFEAMO Cc1c(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)cc(C#N)n1C ZINC000670440536 540995968 /nfs/dbraw/zinc/99/59/68/540995968.db2.gz VXZMZOYHWHZVFJ-KRWDZBQOSA-N 1 1 295.386 2.641 50 30 CFEAMO N#Cc1cccc(C(=O)c2ccc(C[NH+]3CCC3)cc2)c1 ZINC000002514607 371731280 /nfs/dbraw/zinc/73/12/80/371731280.db2.gz AKNIRVPDJPUYET-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO C=CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012056162 371942731 /nfs/dbraw/zinc/94/27/31/371942731.db2.gz RNBBNJNVONLSKU-HNNXBMFYSA-N 1 1 292.810 2.997 50 30 CFEAMO C=CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012056162 371942737 /nfs/dbraw/zinc/94/27/37/371942737.db2.gz RNBBNJNVONLSKU-HNNXBMFYSA-N 1 1 292.810 2.997 50 30 CFEAMO N#CCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053095908 373462058 /nfs/dbraw/zinc/46/20/58/373462058.db2.gz WGHFYWMPZFDFND-CQSZACIVSA-N 1 1 272.348 2.898 50 30 CFEAMO C=CC[NH+]1CCN(Cc2cnoc2-c2ccccc2)CC1 ZINC000065288899 373854707 /nfs/dbraw/zinc/85/47/07/373854707.db2.gz RIVBFDMHEDFRPB-UHFFFAOYSA-N 1 1 283.375 2.645 50 30 CFEAMO C=CCN1CC[NH+](Cc2cnoc2-c2ccccc2)CC1 ZINC000065288899 373854712 /nfs/dbraw/zinc/85/47/12/373854712.db2.gz RIVBFDMHEDFRPB-UHFFFAOYSA-N 1 1 283.375 2.645 50 30 CFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000103331093 375730749 /nfs/dbraw/zinc/73/07/49/375730749.db2.gz ATWWHHIJLCZMES-HZSPNIEDSA-N 1 1 285.391 2.863 50 30 CFEAMO C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000103408232 375742378 /nfs/dbraw/zinc/74/23/78/375742378.db2.gz STSLBMIQEBKTIF-UONOGXRCSA-N 1 1 258.365 2.915 50 30 CFEAMO Cc1noc([C@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000332219457 378737517 /nfs/dbraw/zinc/73/75/17/378737517.db2.gz VJMFXDGBCYADST-ABAIWWIYSA-N 1 1 282.347 2.800 50 30 CFEAMO C=CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000048343601 412903863 /nfs/dbraw/zinc/90/38/63/412903863.db2.gz VTLQFRAMJNXNNO-UHFFFAOYSA-N 1 1 285.313 2.799 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000241132763 382982364 /nfs/dbraw/zinc/98/23/64/382982364.db2.gz JLNAKOUQJGPVQC-FUHWJXTLSA-N 1 1 299.418 2.660 50 30 CFEAMO C=C(Br)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246978332 383126973 /nfs/dbraw/zinc/12/69/73/383126973.db2.gz VSHASFGUZIRYGS-GXTWGEPZSA-N 1 1 299.256 2.844 50 30 CFEAMO C/N=C1/C[C@H](c2ccccc2)[N@@H+](C)[C@@H]2CCCC[C@]12O ZINC000252629862 383423456 /nfs/dbraw/zinc/42/34/56/383423456.db2.gz UOZWQLLTGAELFC-SCRYPSOWSA-N 1 1 272.392 2.808 50 30 CFEAMO C#CC[N@@H+](CC=C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055211158 393620505 /nfs/dbraw/zinc/62/05/05/393620505.db2.gz RETUDXHCYCKMHY-UHFFFAOYSA-N 1 1 269.323 2.837 50 30 CFEAMO C#CC[N@H+](CC=C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055211158 393620510 /nfs/dbraw/zinc/62/05/10/393620510.db2.gz RETUDXHCYCKMHY-UHFFFAOYSA-N 1 1 269.323 2.837 50 30 CFEAMO C=CCSc1nnc([C@H]([NH3+])Cc2ccccc2)o1 ZINC000011903976 397538394 /nfs/dbraw/zinc/53/83/94/397538394.db2.gz LQNKTYURYVPSIA-LLVKDONJSA-N 1 1 261.350 2.590 50 30 CFEAMO C=C(C)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000058918686 397589989 /nfs/dbraw/zinc/58/99/89/397589989.db2.gz RNTWGGLMPZZIOI-AWEZNQCLSA-N 1 1 274.412 2.760 50 30 CFEAMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102527117 397594271 /nfs/dbraw/zinc/59/42/71/397594271.db2.gz ZKPHFTGXJVKGKY-HZSPNIEDSA-N 1 1 285.391 2.863 50 30 CFEAMO C[NH+](C)[C@@H](Cc1ccc(C#N)cc1)C(=O)c1ccccc1 ZINC000006544290 170212334 /nfs/dbraw/zinc/21/23/34/170212334.db2.gz JHADWHLKPDXQLN-KRWDZBQOSA-N 1 1 278.355 2.914 50 30 CFEAMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000007699492 170298210 /nfs/dbraw/zinc/29/82/10/170298210.db2.gz JLXQHCXVDLCFDF-UHFFFAOYSA-N 1 1 264.394 2.855 50 30 CFEAMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000007699492 170298211 /nfs/dbraw/zinc/29/82/11/170298211.db2.gz JLXQHCXVDLCFDF-UHFFFAOYSA-N 1 1 264.394 2.855 50 30 CFEAMO C[NH+](C)C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000020129298 171017388 /nfs/dbraw/zinc/01/73/88/171017388.db2.gz AFZYVDAOYQBPSE-GOSISDBHSA-N 1 1 279.387 2.951 50 30 CFEAMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccco1 ZINC000035701929 172369058 /nfs/dbraw/zinc/36/90/58/172369058.db2.gz BBYJRPBCTNXACC-UHFFFAOYSA-N 1 1 256.305 2.662 50 30 CFEAMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049990 174185167 /nfs/dbraw/zinc/18/51/67/174185167.db2.gz LZWYZUZFAWTSCC-QGZVFWFLSA-N 1 1 284.403 2.806 50 30 CFEAMO C[N@@H+](Cc1ccc(C#CCO)cc1)C1Cc2ccccc2C1 ZINC000071755118 176260668 /nfs/dbraw/zinc/26/06/68/176260668.db2.gz QWOTWDJLPWBELT-UHFFFAOYSA-N 1 1 291.394 2.630 50 30 CFEAMO CC(C)[N@@H+](Cc1ccccc1C#N)C1CCOCC1 ZINC000077323455 177252352 /nfs/dbraw/zinc/25/23/52/177252352.db2.gz LBFJALGVKUBYSP-UHFFFAOYSA-N 1 1 258.365 2.948 50 30 CFEAMO C#CCOc1ccc(NC(=O)CCCn2cc[nH+]c2C)cc1 ZINC000078712944 177374549 /nfs/dbraw/zinc/37/45/49/177374549.db2.gz CBCQIAXGZAGKAF-UHFFFAOYSA-N 1 1 297.358 2.622 50 30 CFEAMO CCC[C@@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCCC1 ZINC000048070809 420501705 /nfs/dbraw/zinc/50/17/05/420501705.db2.gz JXHFPJHLNPLTOC-CQSZACIVSA-N 1 1 279.428 2.840 50 30 CFEAMO Cc1ccc(CC(=O)ONC(=[NH2+])c2cccc(C)c2)cc1 ZINC000004685129 260016108 /nfs/dbraw/zinc/01/61/08/260016108.db2.gz LVJIZKWRZCBERB-UHFFFAOYSA-N 1 1 282.343 2.710 50 30 CFEAMO CCC[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 ZINC000040161512 260174891 /nfs/dbraw/zinc/17/48/91/260174891.db2.gz PKEQDWUFGNNKNI-UHFFFAOYSA-N 1 1 299.418 2.851 50 30 CFEAMO COc1ccccc1C[N@@H+](CCCC#N)C[C@@H]1CCCO1 ZINC000045944880 260192873 /nfs/dbraw/zinc/19/28/73/260192873.db2.gz HEVNCRGJHHNCRM-INIZCTEOSA-N 1 1 288.391 2.980 50 30 CFEAMO C[C@@H]([NH2+][C@@H](CO)c1ccco1)c1ccc(C#N)cc1 ZINC000096493426 277627807 /nfs/dbraw/zinc/62/78/07/277627807.db2.gz QTOKZPKZDHQKIB-RISCZKNCSA-N 1 1 256.305 2.535 50 30 CFEAMO Cc1ccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)o1 ZINC000096489673 533923445 /nfs/dbraw/zinc/92/34/45/533923445.db2.gz PNFPXNSQYNZVQF-UHFFFAOYSA-N 1 1 296.374 2.567 50 30 CFEAMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000015799072 527264419 /nfs/dbraw/zinc/26/44/19/527264419.db2.gz AZBPRTGHNOEGDK-NVXWUHKLSA-N 1 1 289.419 2.887 50 30 CFEAMO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000670452445 570400445 /nfs/dbraw/zinc/40/04/45/570400445.db2.gz ZTNPVZWMBXLOQR-KRWDZBQOSA-N 1 1 280.375 2.998 50 30 CFEAMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000670452445 570400447 /nfs/dbraw/zinc/40/04/47/570400447.db2.gz ZTNPVZWMBXLOQR-KRWDZBQOSA-N 1 1 280.375 2.998 50 30 CFEAMO C[NH+]1CCN(N=Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000254387235 618406255 /nfs/dbraw/zinc/40/62/55/618406255.db2.gz PTLGZLICHMJGPF-UHFFFAOYSA-N 1 1 287.338 2.667 50 30 CFEAMO C[NH+]1CCN(N=Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000254853200 651096463 /nfs/dbraw/zinc/09/64/63/651096463.db2.gz FBPUSSTVPCEHJZ-UHFFFAOYSA-N 1 1 279.387 2.935 50 30 CFEAMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000095994247 185059556 /nfs/dbraw/zinc/05/95/56/185059556.db2.gz MWOLPMKXYUGEGH-UHFFFAOYSA-N 1 1 270.735 2.926 50 30 CFEAMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000095994247 185059557 /nfs/dbraw/zinc/05/95/57/185059557.db2.gz MWOLPMKXYUGEGH-UHFFFAOYSA-N 1 1 270.735 2.926 50 30 CFEAMO C[N@H+](CC#C[Si](C)(C)C)Cc1ccc2c(c1)OCO2 ZINC000196758081 539488528 /nfs/dbraw/zinc/48/85/28/539488528.db2.gz QDRIOVBJWSVFSX-UHFFFAOYSA-N 1 1 275.424 2.728 50 30 CFEAMO C[N@@H+](CC#C[Si](C)(C)C)Cc1ccc2c(c1)OCO2 ZINC000196758081 539488532 /nfs/dbraw/zinc/48/85/32/539488532.db2.gz QDRIOVBJWSVFSX-UHFFFAOYSA-N 1 1 275.424 2.728 50 30 CFEAMO C=C(C)[C@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000005807889 346212389 /nfs/dbraw/zinc/21/23/89/346212389.db2.gz ABKDBHRAGTZDQX-ZWKOTPCHSA-N 1 1 284.403 2.939 50 30 CFEAMO C=C(C)[C@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000005807889 346212390 /nfs/dbraw/zinc/21/23/90/346212390.db2.gz ABKDBHRAGTZDQX-ZWKOTPCHSA-N 1 1 284.403 2.939 50 30 CFEAMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000078563023 347261525 /nfs/dbraw/zinc/26/15/25/347261525.db2.gz DLYNPVLESOAJNT-CYBMUJFWSA-N 1 1 275.371 2.865 50 30 CFEAMO CC(C)CC(=O)N1CCC(C[N@@H+](C)[C@H](C)CC#N)CC1 ZINC000170597308 348055804 /nfs/dbraw/zinc/05/58/04/348055804.db2.gz QNSXZHOUMCVZAX-CQSZACIVSA-N 1 1 279.428 2.505 50 30 CFEAMO C#CC[N@@H+]1CC[C@](OC(=O)CC)(c2ccccc2)[C@@H]1C ZINC000216002434 348163616 /nfs/dbraw/zinc/16/36/16/348163616.db2.gz KLGHDMOBCKWGTK-WMLDXEAASA-N 1 1 271.360 2.563 50 30 CFEAMO N#Cc1cccnc1N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091411284 180149111 /nfs/dbraw/zinc/14/91/11/180149111.db2.gz GBHMSZOUDBGLJK-NVXWUHKLSA-N 1 1 296.418 2.654 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000091860193 180275475 /nfs/dbraw/zinc/27/54/75/180275475.db2.gz LKYWOONJYYZLSW-QGZVFWFLSA-N 1 1 293.382 2.985 50 30 CFEAMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[NH+]1CCCC1 ZINC000105661733 186068207 /nfs/dbraw/zinc/06/82/07/186068207.db2.gz HRQQQQXBJRHSNF-SFQUDFHCSA-N 1 1 284.403 2.963 50 30 CFEAMO CCn1cc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc1C#N ZINC000670470095 541008954 /nfs/dbraw/zinc/00/89/54/541008954.db2.gz VFXAYDVVSDDDRX-QGZVFWFLSA-N 1 1 295.386 2.815 50 30 CFEAMO CCn1cc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)cc1C#N ZINC000670470090 541009025 /nfs/dbraw/zinc/00/90/25/541009025.db2.gz VFXAYDVVSDDDRX-KRWDZBQOSA-N 1 1 295.386 2.815 50 30 CFEAMO C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N/OC(=O)c1ccccc1 ZINC000003900693 371823766 /nfs/dbraw/zinc/82/37/66/371823766.db2.gz BHUGEYWWNUWAAY-XTJHUYNNSA-N 1 1 260.337 2.560 50 30 CFEAMO Cc1cccc(C(=O)O/N=C2\C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000013556171 372032624 /nfs/dbraw/zinc/03/26/24/372032624.db2.gz WSBKLQGARDLANT-YXEAAEFPSA-N 1 1 274.364 2.868 50 30 CFEAMO C[C@@H]1C[N@H+](CCCCOc2ccccc2C#N)C[C@H](C)O1 ZINC000016489356 372108431 /nfs/dbraw/zinc/10/84/31/372108431.db2.gz MFVDANBNLQYMGT-GASCZTMLSA-N 1 1 288.391 2.826 50 30 CFEAMO C[C@@H]1CCCC[N@H+]1CCCNc1ncccc1C#N ZINC000019473309 372166945 /nfs/dbraw/zinc/16/69/45/372166945.db2.gz PSWUTASHJLYUEA-CYBMUJFWSA-N 1 1 258.369 2.630 50 30 CFEAMO CN(C)/C(=[NH+]/Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000033376887 372492297 /nfs/dbraw/zinc/49/22/97/372492297.db2.gz NAYPPFLITBUMJO-BMRADRMJSA-N 1 1 284.319 2.930 50 30 CFEAMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000052800040 373450347 /nfs/dbraw/zinc/45/03/47/373450347.db2.gz VUJXTZNFWYAFOJ-UHFFFAOYSA-N 1 1 292.386 2.666 50 30 CFEAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000070040091 374119391 /nfs/dbraw/zinc/11/93/91/374119391.db2.gz HWDWZBIULDZKOB-QGZVFWFLSA-N 1 1 280.375 2.728 50 30 CFEAMO N#Cc1ccc(-c2ccn(C[N@H+]3CCCSCC3)n2)cc1 ZINC000071840978 374227150 /nfs/dbraw/zinc/22/71/50/374227150.db2.gz QLJCRPFGALKMMF-UHFFFAOYSA-N 1 1 298.415 2.818 50 30 CFEAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)C#N)C1 ZINC000075136973 374460941 /nfs/dbraw/zinc/46/09/41/374460941.db2.gz QBRKPSSOSYHGRX-ZDUSSCGKSA-N 1 1 279.428 2.553 50 30 CFEAMO Cc1[nH+]ccn1CCCNc1cccc(F)c1C#N ZINC000076063300 374526611 /nfs/dbraw/zinc/52/66/11/374526611.db2.gz VWJYFMSLAHRRRM-UHFFFAOYSA-N 1 1 258.300 2.705 50 30 CFEAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(c1cccc(C#N)n1)C2 ZINC000095375997 375425148 /nfs/dbraw/zinc/42/51/48/375425148.db2.gz BEDWBAGFCNNVJP-NVXWUHKLSA-N 1 1 296.418 2.820 50 30 CFEAMO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000097288850 375548886 /nfs/dbraw/zinc/54/88/86/375548886.db2.gz OPRNHYDUTAQYTA-OAHLLOKOSA-N 1 1 280.375 2.916 50 30 CFEAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000097288850 375548889 /nfs/dbraw/zinc/54/88/89/375548889.db2.gz OPRNHYDUTAQYTA-OAHLLOKOSA-N 1 1 280.375 2.916 50 30 CFEAMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C#N ZINC000170604888 379127240 /nfs/dbraw/zinc/12/72/40/379127240.db2.gz JXKKVKIOHANHLT-INIZCTEOSA-N 1 1 292.386 2.948 50 30 CFEAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000249694627 383356785 /nfs/dbraw/zinc/35/67/85/383356785.db2.gz PGTOLCYYJIYNSR-DLBZAZTESA-N 1 1 297.402 2.647 50 30 CFEAMO C=CCC[C@H](O)C[N@H+](CCCOC)Cc1ccc(C)o1 ZINC000036097862 393522619 /nfs/dbraw/zinc/52/26/19/393522619.db2.gz MSGSRPYKPPWDJL-HNNXBMFYSA-N 1 1 281.396 2.754 50 30 CFEAMO N#CCCNC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000058341756 393623940 /nfs/dbraw/zinc/62/39/40/393623940.db2.gz XLJHPWLTAUDHPI-UHFFFAOYSA-N 1 1 299.418 2.504 50 30 CFEAMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000071875240 176284866 /nfs/dbraw/zinc/28/48/66/176284866.db2.gz BWQKSVDYOCPNHY-MRXNPFEDSA-N 1 1 298.365 2.949 50 30 CFEAMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000071875240 176284867 /nfs/dbraw/zinc/28/48/67/176284867.db2.gz BWQKSVDYOCPNHY-MRXNPFEDSA-N 1 1 298.365 2.949 50 30 CFEAMO CCC[C@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCCC1 ZINC000048070810 420501137 /nfs/dbraw/zinc/50/11/37/420501137.db2.gz JXHFPJHLNPLTOC-AWEZNQCLSA-N 1 1 279.428 2.840 50 30 CFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1C)[C@H](C)CC ZINC000036104533 275384656 /nfs/dbraw/zinc/38/46/56/275384656.db2.gz NIEPBSBJIRAVML-AEFFLSMTSA-N 1 1 289.419 2.606 50 30 CFEAMO N#CCCC[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000002380616 136393500 /nfs/dbraw/zinc/39/35/00/136393500.db2.gz KVOVKQHKSDOKGS-UHFFFAOYSA-N 1 1 298.312 2.526 50 30 CFEAMO Cc1c(C[N@H+]2CCC3(CCCC3)C2)cc(C#N)n1C ZINC000093336609 539751170 /nfs/dbraw/zinc/75/11/70/539751170.db2.gz SMQVXOIVMXLVNH-UHFFFAOYSA-N 1 1 257.381 2.971 50 30 CFEAMO N#Cc1cccc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)c1 ZINC000091636464 180211630 /nfs/dbraw/zinc/21/16/30/180211630.db2.gz QZXXMXWJJWJULH-SFHVURJKSA-N 1 1 284.403 2.933 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2[nH]nc(C)c2Cl)C1 ZINC000091677404 180225007 /nfs/dbraw/zinc/22/50/07/180225007.db2.gz PZGJADIDZHBFQK-CQSZACIVSA-N 1 1 283.803 2.522 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2[nH]nc(C)c2Cl)C1 ZINC000091677404 180225009 /nfs/dbraw/zinc/22/50/09/180225009.db2.gz PZGJADIDZHBFQK-CQSZACIVSA-N 1 1 283.803 2.522 50 30 CFEAMO C[NH+]1CCN(N=Cc2cccc(Cl)c2Cl)CC1 ZINC000606347358 351263301 /nfs/dbraw/zinc/26/33/01/351263301.db2.gz FIELHACJFLHHDG-UHFFFAOYSA-N 1 1 272.179 2.575 50 30 CFEAMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nccn1C ZINC000611393332 351681652 /nfs/dbraw/zinc/68/16/52/351681652.db2.gz CJIBBABWDSAKIO-VXGBXAGGSA-N 1 1 254.337 2.704 50 30 CFEAMO C[C@@H](CC#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980599 540404206 /nfs/dbraw/zinc/40/42/06/540404206.db2.gz BSVCKQNSWGLWKC-KBPBESRZSA-N 1 1 275.371 2.806 50 30 CFEAMO Cc1ccc([C@H](C)CC[N@H+]2CCn3nc(C#N)cc3C2)o1 ZINC000670453151 541000370 /nfs/dbraw/zinc/00/03/70/541000370.db2.gz LGKLJBFDAADXGL-GFCCVEGCSA-N 1 1 284.363 2.666 50 30 CFEAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C#N)cc1 ZINC000003345407 371792755 /nfs/dbraw/zinc/79/27/55/371792755.db2.gz UTVLQAMUBGOUHY-UHFFFAOYSA-N 1 1 293.370 2.937 50 30 CFEAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C#N)cc1 ZINC000003345407 371792759 /nfs/dbraw/zinc/79/27/59/371792759.db2.gz UTVLQAMUBGOUHY-UHFFFAOYSA-N 1 1 293.370 2.937 50 30 CFEAMO CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000003538727 371808358 /nfs/dbraw/zinc/80/83/58/371808358.db2.gz GFPNRGBURNHBNS-UHFFFAOYSA-N 1 1 291.782 2.882 50 30 CFEAMO CC(C)NC(=O)ONC(=[NH2+])Cc1cccc2ccccc21 ZINC000004393020 371854926 /nfs/dbraw/zinc/85/49/26/371854926.db2.gz OLURVMCOWAJDLH-UHFFFAOYSA-N 1 1 285.347 2.789 50 30 CFEAMO C[N@@H+]1CCc2c(c(C#N)c(=S)[nH]c2-c2cccs2)C1 ZINC000004640136 371869802 /nfs/dbraw/zinc/86/98/02/371869802.db2.gz XGCLINYMMSFORL-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO C[N@H+]1CCc2c(c(C#N)c(=S)[nH]c2-c2cccs2)C1 ZINC000004640136 371869806 /nfs/dbraw/zinc/86/98/06/371869806.db2.gz XGCLINYMMSFORL-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000012592712 371978511 /nfs/dbraw/zinc/97/85/11/371978511.db2.gz ZWYIXJJDJBZZGE-NSHDSACASA-N 1 1 277.393 2.680 50 30 CFEAMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000014094695 372058519 /nfs/dbraw/zinc/05/85/19/372058519.db2.gz KKAHBRWAAAHRPE-INIZCTEOSA-N 1 1 294.354 2.830 50 30 CFEAMO N#Cc1cccnc1N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000029619723 372383049 /nfs/dbraw/zinc/38/30/49/372383049.db2.gz HJRBDMBOEAWOKN-UHFFFAOYSA-N 1 1 298.415 2.727 50 30 CFEAMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000035122333 372541190 /nfs/dbraw/zinc/54/11/90/372541190.db2.gz LHQXTVVUTWLWJY-UHFFFAOYSA-N 1 1 256.305 2.662 50 30 CFEAMO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000042220670 372889333 /nfs/dbraw/zinc/88/93/33/372889333.db2.gz JHPOMPDJWLXTEN-MNOVXSKESA-N 1 1 266.772 2.681 50 30 CFEAMO N#Cc1cccc(C[N@@H+](CCO)Cc2ccsc2)c1 ZINC000069458002 374065903 /nfs/dbraw/zinc/06/59/03/374065903.db2.gz MFMCZOKMVPPHQE-UHFFFAOYSA-N 1 1 272.373 2.614 50 30 CFEAMO CC[C@@H]1C[N@@H+](CCCC#N)[C@@H](CC)CN1CCCC#N ZINC000077318713 374562894 /nfs/dbraw/zinc/56/28/94/374562894.db2.gz SAJUVTKYZJWTSA-IYBDPMFKSA-N 1 1 276.428 2.769 50 30 CFEAMO CC[C@@H]1CN(CCCC#N)[C@@H](CC)C[N@@H+]1CCCC#N ZINC000077318713 374562902 /nfs/dbraw/zinc/56/29/02/374562902.db2.gz SAJUVTKYZJWTSA-IYBDPMFKSA-N 1 1 276.428 2.769 50 30 CFEAMO CC[C@@H]1CN(CCCC#N)[C@@H](CC)C[N@H+]1CCCC#N ZINC000077318713 374562906 /nfs/dbraw/zinc/56/29/06/374562906.db2.gz SAJUVTKYZJWTSA-IYBDPMFKSA-N 1 1 276.428 2.769 50 30 CFEAMO N#Cc1cc(F)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480194 375051774 /nfs/dbraw/zinc/05/17/74/375051774.db2.gz XKRLVKSAKIJGGZ-NSHDSACASA-N 1 1 270.311 2.804 50 30 CFEAMO Cc1noc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000095349807 375418275 /nfs/dbraw/zinc/41/82/75/375418275.db2.gz SINGOMKIMYFWQV-UHFFFAOYSA-N 1 1 255.321 2.795 50 30 CFEAMO Cc1noc(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000095349807 375418286 /nfs/dbraw/zinc/41/82/86/375418286.db2.gz SINGOMKIMYFWQV-UHFFFAOYSA-N 1 1 255.321 2.795 50 30 CFEAMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000095405870 375433271 /nfs/dbraw/zinc/43/32/71/375433271.db2.gz KXMNHQPTVBCXHZ-QWRGUYRKSA-N 1 1 278.318 2.704 50 30 CFEAMO C#CCOc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000097058611 375506007 /nfs/dbraw/zinc/50/60/07/375506007.db2.gz CDVSHVIWYQJQTL-UHFFFAOYSA-N 1 1 266.344 2.726 50 30 CFEAMO C=C(Br)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134907214 378062731 /nfs/dbraw/zinc/06/27/31/378062731.db2.gz VSHASFGUZIRYGS-OCCSQVGLSA-N 1 1 299.256 2.844 50 30 CFEAMO Cc1cccc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]1 ZINC000354860493 381492329 /nfs/dbraw/zinc/49/23/29/381492329.db2.gz VDGSINDKOFOTGG-MRXNPFEDSA-N 1 1 279.343 2.840 50 30 CFEAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000215460003 382779175 /nfs/dbraw/zinc/77/91/75/382779175.db2.gz RTCRVRLVHLBEBT-UHFFFAOYSA-N 1 1 266.348 2.791 50 30 CFEAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000215460003 382779177 /nfs/dbraw/zinc/77/91/77/382779177.db2.gz RTCRVRLVHLBEBT-UHFFFAOYSA-N 1 1 266.348 2.791 50 30 CFEAMO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000215594461 382779559 /nfs/dbraw/zinc/77/95/59/382779559.db2.gz RDKHEWWYNWQXPQ-IBGZPJMESA-N 1 1 292.382 2.960 50 30 CFEAMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000225587458 382818696 /nfs/dbraw/zinc/81/86/96/382818696.db2.gz KAQAXOJCJHLXSU-CYBMUJFWSA-N 1 1 267.332 2.722 50 30 CFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1C)[C@@H](C)CC ZINC000036104536 393522178 /nfs/dbraw/zinc/52/21/78/393522178.db2.gz NIEPBSBJIRAVML-WMZOPIPTSA-N 1 1 289.419 2.606 50 30 CFEAMO N/[NH+]=C(\c1ccccc1)c1cc(Br)ccc1N ZINC000004748255 170011009 /nfs/dbraw/zinc/01/10/09/170011009.db2.gz IRDUHPSVEBCHJM-GHRIWEEISA-N 1 1 290.164 2.742 50 30 CFEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000007384243 170281849 /nfs/dbraw/zinc/28/18/49/170281849.db2.gz UNSSSRNHMGEDBH-OLZOCXBDSA-N 1 1 271.364 2.617 50 30 CFEAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000069741047 175850858 /nfs/dbraw/zinc/85/08/58/175850858.db2.gz PGTOLCYYJIYNSR-IRXDYDNUSA-N 1 1 297.402 2.647 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000071830499 176272836 /nfs/dbraw/zinc/27/28/36/176272836.db2.gz KRXBWESYWYAZCT-UHFFFAOYSA-N 1 1 298.415 2.727 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000071875207 176284687 /nfs/dbraw/zinc/28/46/87/176284687.db2.gz IJKRJTZFYLPIKP-QGZVFWFLSA-N 1 1 280.375 2.809 50 30 CFEAMO CC[C@@H]1CN(Cc2cc(C#N)n(CC)c2)CC[N@H+]1C(C)C ZINC000072162413 176329780 /nfs/dbraw/zinc/32/97/80/176329780.db2.gz OXDMTMHEMLKHEL-MRXNPFEDSA-N 1 1 288.439 2.684 50 30 CFEAMO C=C(Cl)C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000078823326 177394041 /nfs/dbraw/zinc/39/40/41/177394041.db2.gz KQUKFGSVCWWYHX-JTQLQIEISA-N 1 1 267.756 2.861 50 30 CFEAMO CC[C@H](Oc1ccccc1)C(=O)ONC(=[NH2+])c1ccccc1 ZINC000004978430 260016825 /nfs/dbraw/zinc/01/68/25/260016825.db2.gz XJBTUCSJEVXGHN-HNNXBMFYSA-N 1 1 298.342 2.708 50 30 CFEAMO CC(=O)OCCC#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000055382692 519755744 /nfs/dbraw/zinc/75/57/44/519755744.db2.gz SDVHQAJDMWWMRQ-KRWDZBQOSA-N 1 1 286.375 2.565 50 30 CFEAMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014976571 527076048 /nfs/dbraw/zinc/07/60/48/527076048.db2.gz PSQPWTNZZYIGNK-OAHLLOKOSA-N 1 1 290.382 2.873 50 30 CFEAMO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014976571 527076053 /nfs/dbraw/zinc/07/60/53/527076053.db2.gz PSQPWTNZZYIGNK-OAHLLOKOSA-N 1 1 290.382 2.873 50 30 CFEAMO NC(=[NH+]OCc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC000084615340 650777547 /nfs/dbraw/zinc/77/75/47/650777547.db2.gz CXVILBKQRSEBKB-UHFFFAOYSA-N 1 1 284.363 2.851 50 30 CFEAMO N#CC1CCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000252482142 283050486 /nfs/dbraw/zinc/05/04/86/283050486.db2.gz CZOSXQDJYLEXFD-GOSISDBHSA-N 1 1 283.419 2.887 50 30 CFEAMO NC(=[NH+]OCC(=O)NC1CCCCCCC1)C1CCCC1 ZINC000077375756 541351381 /nfs/dbraw/zinc/35/13/81/541351381.db2.gz KOGHDRKQALBVNL-UHFFFAOYSA-N 1 1 295.427 2.695 50 30 CFEAMO N#Cc1ccccc1C(=O)c1ccc(C[NH+]2CCC2)cc1 ZINC000002514606 371731222 /nfs/dbraw/zinc/73/12/22/371731222.db2.gz QUBHTRGESNNQRC-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N\Oc1ccccc1[N+](=O)[O-] ZINC000013556418 372031621 /nfs/dbraw/zinc/03/16/21/372031621.db2.gz UQBBTDSGUQJIBT-QPYWVZODSA-N 1 1 277.324 2.690 50 30 CFEAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N\Oc1ccccc1[N+](=O)[O-] ZINC000013556424 372032144 /nfs/dbraw/zinc/03/21/44/372032144.db2.gz UQBBTDSGUQJIBT-KSWSDUOESA-N 1 1 277.324 2.690 50 30 CFEAMO O=C1/C(=C/c2ccccc2)CCC[C@@H]1C[NH+]1CCOCC1 ZINC000020458228 372236870 /nfs/dbraw/zinc/23/68/70/372236870.db2.gz XLHVHZOUMWHBQL-HJUDDPQBSA-N 1 1 285.387 2.771 50 30 CFEAMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000023281683 372256196 /nfs/dbraw/zinc/25/61/96/372256196.db2.gz HNHVFEIIQDBLCW-OAHLLOKOSA-N 1 1 261.365 2.598 50 30 CFEAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NC1(C#N)CCCC1 ZINC000024685415 372279681 /nfs/dbraw/zinc/27/96/81/372279681.db2.gz NULKGOGGYJSEQB-AWEZNQCLSA-N 1 1 285.391 2.632 50 30 CFEAMO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000025948630 372310778 /nfs/dbraw/zinc/31/07/78/372310778.db2.gz FCRUTIXOBAAFRI-PHIMTYICSA-N 1 1 289.379 2.685 50 30 CFEAMO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000025948630 372310784 /nfs/dbraw/zinc/31/07/84/372310784.db2.gz FCRUTIXOBAAFRI-PHIMTYICSA-N 1 1 289.379 2.685 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC1CCCCC1 ZINC000032769939 372461580 /nfs/dbraw/zinc/46/15/80/372461580.db2.gz IGBQHMPLSMWDJE-INIZCTEOSA-N 1 1 279.428 2.553 50 30 CFEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)[nH]n1 ZINC000078901037 374572477 /nfs/dbraw/zinc/57/24/77/374572477.db2.gz YBPVLYTVLCBJPV-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000078901037 374572484 /nfs/dbraw/zinc/57/24/84/374572484.db2.gz YBPVLYTVLCBJPV-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000078901037 374572492 /nfs/dbraw/zinc/57/24/92/374572492.db2.gz YBPVLYTVLCBJPV-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1[nH+]c2cc(Nc3nnc(C)c(C)c3C#N)ccc2n1C ZINC000089556316 374923276 /nfs/dbraw/zinc/92/32/76/374923276.db2.gz QWKLIIRXRHKEPW-UHFFFAOYSA-N 1 1 292.346 2.904 50 30 CFEAMO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000103408233 375742928 /nfs/dbraw/zinc/74/29/28/375742928.db2.gz STSLBMIQEBKTIF-ZIAGYGMSSA-N 1 1 258.365 2.915 50 30 CFEAMO C=C(Br)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000162210104 378901513 /nfs/dbraw/zinc/90/15/13/378901513.db2.gz WMSPXHQCMCWPKS-VIFPVBQESA-N 1 1 256.143 2.951 50 30 CFEAMO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H]1COc3ccccc31)C2 ZINC000328592751 382550508 /nfs/dbraw/zinc/55/05/08/382550508.db2.gz KNVSKPJXCBSJPI-IAQYHMDHSA-N 1 1 297.358 2.913 50 30 CFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccsc1)CC(C)C ZINC000036099223 393522346 /nfs/dbraw/zinc/52/23/46/393522346.db2.gz XJKWEVHGJUKFEP-HNNXBMFYSA-N 1 1 283.437 2.770 50 30 CFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(C)o1)CC(C)C ZINC000036097544 393522539 /nfs/dbraw/zinc/52/25/39/393522539.db2.gz AKTSCLKLBQAPBQ-OAHLLOKOSA-N 1 1 281.396 2.610 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000036396188 393523548 /nfs/dbraw/zinc/52/35/48/393523548.db2.gz BVTXXRGWIKVJIK-SFHVURJKSA-N 1 1 299.418 2.705 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000036396188 393523555 /nfs/dbraw/zinc/52/35/55/393523555.db2.gz BVTXXRGWIKVJIK-SFHVURJKSA-N 1 1 299.418 2.705 50 30 CFEAMO C=C(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055153437 393620817 /nfs/dbraw/zinc/62/08/17/393620817.db2.gz UHBHADIXYIJKJI-CQSZACIVSA-N 1 1 276.380 2.526 50 30 CFEAMO C=CCn1cc(C[N@@H+](CC2CC2)C[C@@H]2CCCO2)c(C)n1 ZINC000055109296 393621006 /nfs/dbraw/zinc/62/10/06/393621006.db2.gz BPFMXYJPNGOZLQ-KRWDZBQOSA-N 1 1 289.423 2.769 50 30 CFEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ncccn1 ZINC000067514336 393632611 /nfs/dbraw/zinc/63/26/11/393632611.db2.gz MKQAWMWJLVEWTK-INIZCTEOSA-N 1 1 298.390 2.717 50 30 CFEAMO C=CCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012073127 397538821 /nfs/dbraw/zinc/53/88/21/397538821.db2.gz OAIXUYKSFRSPNI-OAHLLOKOSA-N 1 1 290.382 2.825 50 30 CFEAMO CN(C(=O)C[N@H+](C)Cc1ccccc1)C1(C#N)CCCCC1 ZINC000008141969 170321100 /nfs/dbraw/zinc/32/11/00/170321100.db2.gz AEEOJGQACGNZDH-UHFFFAOYSA-N 1 1 299.418 2.803 50 30 CFEAMO CN(C(=O)C[N@@H+](C)Cc1ccccc1)C1(C#N)CCCCC1 ZINC000008141969 170321101 /nfs/dbraw/zinc/32/11/01/170321101.db2.gz AEEOJGQACGNZDH-UHFFFAOYSA-N 1 1 299.418 2.803 50 30 CFEAMO C=CCc1cc(C)cc(C)c1OCCN1CCN(C)CC1 ZINC000020652777 171268825 /nfs/dbraw/zinc/26/88/25/171268825.db2.gz FJWOOJNIWJRENZ-UHFFFAOYSA-N 1 1 288.435 2.658 50 30 CFEAMO C=CCc1cc(C)cc(C)c1OCC[NH+]1CCN(C)CC1 ZINC000020652777 171268826 /nfs/dbraw/zinc/26/88/26/171268826.db2.gz FJWOOJNIWJRENZ-UHFFFAOYSA-N 1 1 288.435 2.658 50 30 CFEAMO C=CCOc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020639797 171269076 /nfs/dbraw/zinc/26/90/76/171269076.db2.gz IMQQVRLNIVVRFU-HUUCEWRRSA-N 1 1 291.391 2.739 50 30 CFEAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC000044875134 175269675 /nfs/dbraw/zinc/26/96/75/175269675.db2.gz UERDDUAXYQLQCC-GFCCVEGCSA-N 1 1 297.358 2.975 50 30 CFEAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC000044875134 175269676 /nfs/dbraw/zinc/26/96/76/175269676.db2.gz UERDDUAXYQLQCC-GFCCVEGCSA-N 1 1 297.358 2.975 50 30 CFEAMO Cc1cc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)on1 ZINC000044937824 175281550 /nfs/dbraw/zinc/28/15/50/175281550.db2.gz LYPSVWJWPWWZKB-UHFFFAOYSA-N 1 1 296.374 2.567 50 30 CFEAMO Cc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)no1 ZINC000046086170 175391883 /nfs/dbraw/zinc/39/18/83/175391883.db2.gz ZMSJERYYHGKGDP-UHFFFAOYSA-N 1 1 296.374 2.567 50 30 CFEAMO Cc1cc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)no1 ZINC000046086170 175391884 /nfs/dbraw/zinc/39/18/84/175391884.db2.gz ZMSJERYYHGKGDP-UHFFFAOYSA-N 1 1 296.374 2.567 50 30 CFEAMO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000071875199 176284956 /nfs/dbraw/zinc/28/49/56/176284956.db2.gz PLUTVQFLZMALJN-QGZVFWFLSA-N 1 1 280.375 2.809 50 30 CFEAMO C[N@H+]1CCCC[C@H]1CCn1cc(C#N)c(=O)c2ccccc21 ZINC000284306366 277047109 /nfs/dbraw/zinc/04/71/09/277047109.db2.gz RZSGPADVQPLSMY-HNNXBMFYSA-N 1 1 295.386 2.748 50 30 CFEAMO CC(C)c1nc(N2CC[NH+](C)CC2)c(C#N)c2c1CCCC2 ZINC000006758689 278071876 /nfs/dbraw/zinc/07/18/76/278071876.db2.gz GAUGMYYTXNGHET-UHFFFAOYSA-N 1 1 298.434 2.707 50 30 CFEAMO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014976574 527077913 /nfs/dbraw/zinc/07/79/13/527077913.db2.gz PSQPWTNZZYIGNK-HNNXBMFYSA-N 1 1 290.382 2.873 50 30 CFEAMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014976574 527077916 /nfs/dbraw/zinc/07/79/16/527077916.db2.gz PSQPWTNZZYIGNK-HNNXBMFYSA-N 1 1 290.382 2.873 50 30 CFEAMO OC1(C#CC[N@@H+]2CCCC[C@H]2c2cccnc2)CCCC1 ZINC000055243736 527505479 /nfs/dbraw/zinc/50/54/79/527505479.db2.gz MQNVBNMTCBVWDQ-KRWDZBQOSA-N 1 1 284.403 2.917 50 30 CFEAMO OC1(C#CC[N@H+]2CCCC[C@H]2c2cccnc2)CCCC1 ZINC000055243736 527505491 /nfs/dbraw/zinc/50/54/91/527505491.db2.gz MQNVBNMTCBVWDQ-KRWDZBQOSA-N 1 1 284.403 2.917 50 30 CFEAMO COc1cccc(C[N@H+](CCC#N)C2CCOCC2)c1 ZINC000095972569 185049229 /nfs/dbraw/zinc/04/92/29/185049229.db2.gz JWVXESZPMFUQJD-UHFFFAOYSA-N 1 1 274.364 2.590 50 30 CFEAMO COc1cccc(C[N@@H+](CCC#N)C2CCOCC2)c1 ZINC000095972569 185049230 /nfs/dbraw/zinc/04/92/30/185049230.db2.gz JWVXESZPMFUQJD-UHFFFAOYSA-N 1 1 274.364 2.590 50 30 CFEAMO C[N@@H+]1CCc2[nH]c(=S)c(C#N)c(-c3ccsc3)c2C1 ZINC000002475782 283176977 /nfs/dbraw/zinc/17/69/77/283176977.db2.gz NZWIBXPOJDJIOK-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO C[N@H+]1CCc2[nH]c(=S)c(C#N)c(-c3ccsc3)c2C1 ZINC000002475782 283176983 /nfs/dbraw/zinc/17/69/83/283176983.db2.gz NZWIBXPOJDJIOK-UHFFFAOYSA-N 1 1 287.413 2.958 50 30 CFEAMO N#Cc1ccc(F)cc1C[N@@H+]1CCCSCC1 ZINC000089983549 540720965 /nfs/dbraw/zinc/72/09/65/540720965.db2.gz GKIWWEPGHHIHHB-UHFFFAOYSA-N 1 1 250.342 2.636 50 30 CFEAMO N#Cc1ccc(F)cc1C[N@H+]1CCCSCC1 ZINC000089983549 540720969 /nfs/dbraw/zinc/72/09/69/540720969.db2.gz GKIWWEPGHHIHHB-UHFFFAOYSA-N 1 1 250.342 2.636 50 30 CFEAMO N#Cc1c(N)sc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000000258949 371571724 /nfs/dbraw/zinc/57/17/24/371571724.db2.gz NEZXGGXPFJZLFK-UHFFFAOYSA-N 1 1 283.400 2.803 50 30 CFEAMO CCOC(=O)c1nnsc1NC=[NH+]c1ccc(C)cc1 ZINC000004476527 371857092 /nfs/dbraw/zinc/85/70/92/371857092.db2.gz NXUPPPOPPGKNCR-UHFFFAOYSA-N 1 1 290.348 2.795 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)CCc2ccccc2)c1 ZINC000013130273 372016136 /nfs/dbraw/zinc/01/61/36/372016136.db2.gz YZQZHGNONFWXCD-UHFFFAOYSA-N 1 1 282.343 2.791 50 30 CFEAMO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c(OC)c1 ZINC000017323069 372132593 /nfs/dbraw/zinc/13/25/93/372132593.db2.gz XLPOFFREQSDPEX-BETUJISGSA-N 1 1 291.391 2.739 50 30 CFEAMO N#Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000019797720 372189845 /nfs/dbraw/zinc/18/98/45/372189845.db2.gz RTAREPXJBXUWFM-UHFFFAOYSA-N 1 1 293.370 2.586 50 30 CFEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccnc3)CC2)cc1 ZINC000019834044 372192076 /nfs/dbraw/zinc/19/20/76/372192076.db2.gz NGJTVXIBVGPTKY-XSFVSMFZSA-N 1 1 294.402 2.542 50 30 CFEAMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000025419980 372300477 /nfs/dbraw/zinc/30/04/77/372300477.db2.gz MNDNPVYZYYDIBB-MRXNPFEDSA-N 1 1 288.391 2.562 50 30 CFEAMO COC(=O)c1cc(C[N@H+](C)Cc2cccc(C#N)c2)oc1C ZINC000026324389 372318703 /nfs/dbraw/zinc/31/87/03/372318703.db2.gz GBZVXSMDFUFNEL-UHFFFAOYSA-N 1 1 298.342 2.878 50 30 CFEAMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(C#N)c2)oc1C ZINC000026324389 372318708 /nfs/dbraw/zinc/31/87/08/372318708.db2.gz GBZVXSMDFUFNEL-UHFFFAOYSA-N 1 1 298.342 2.878 50 30 CFEAMO C[N@H+](CC[S@](=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000069580658 374076996 /nfs/dbraw/zinc/07/69/96/374076996.db2.gz WNDCLFGLUBFRQH-OAQYLSRUSA-N 1 1 298.411 2.798 50 30 CFEAMO C[N@@H+](CC[S@](=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000069580658 374077003 /nfs/dbraw/zinc/07/70/03/374077003.db2.gz WNDCLFGLUBFRQH-OAQYLSRUSA-N 1 1 298.411 2.798 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000069778847 374095528 /nfs/dbraw/zinc/09/55/28/374095528.db2.gz SVAHMSJFUSORLA-INIZCTEOSA-N 1 1 284.338 2.768 50 30 CFEAMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000069778847 374095536 /nfs/dbraw/zinc/09/55/36/374095536.db2.gz SVAHMSJFUSORLA-INIZCTEOSA-N 1 1 284.338 2.768 50 30 CFEAMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)CSC ZINC000095431395 375446748 /nfs/dbraw/zinc/44/67/48/375446748.db2.gz VMJYPLDXUWOBMZ-LLVKDONJSA-N 1 1 264.394 2.750 50 30 CFEAMO COc1cc(C#N)ccc1Cn1cc[nH+]c1C(C)C ZINC000097053375 375504600 /nfs/dbraw/zinc/50/46/00/375504600.db2.gz RMCFCXRUMINDQZ-UHFFFAOYSA-N 1 1 255.321 2.935 50 30 CFEAMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 ZINC000097378284 375556471 /nfs/dbraw/zinc/55/64/71/375556471.db2.gz QPYPWNQMZWPQOC-KSSFIOAISA-N 1 1 295.386 2.761 50 30 CFEAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 ZINC000097378284 375556476 /nfs/dbraw/zinc/55/64/76/375556476.db2.gz QPYPWNQMZWPQOC-KSSFIOAISA-N 1 1 295.386 2.761 50 30 CFEAMO C[C@@H](c1ccsc1)[NH+]1CCN(CCCC#N)CC1 ZINC000097378925 375556760 /nfs/dbraw/zinc/55/67/60/375556760.db2.gz UYGWJOHQFJBBOE-ZDUSSCGKSA-N 1 1 263.410 2.730 50 30 CFEAMO N#Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000299757051 382041254 /nfs/dbraw/zinc/04/12/54/382041254.db2.gz IDCKCLLLSASJCD-CQSZACIVSA-N 1 1 297.402 2.553 50 30 CFEAMO C=CCn1cc(C[N@@H+]2CCOC3(CCCC3)C2)c(C)n1 ZINC000216140523 382781899 /nfs/dbraw/zinc/78/18/99/382781899.db2.gz VRGAUQQPIRLVJI-UHFFFAOYSA-N 1 1 275.396 2.523 50 30 CFEAMO C=CCn1cc(C[N@H+]2CCOC3(CCCC3)C2)c(C)n1 ZINC000216140523 382781902 /nfs/dbraw/zinc/78/19/02/382781902.db2.gz VRGAUQQPIRLVJI-UHFFFAOYSA-N 1 1 275.396 2.523 50 30 CFEAMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000007976072 393467778 /nfs/dbraw/zinc/46/77/78/393467778.db2.gz KLVGZLDYNDTPHF-UHFFFAOYSA-N 1 1 277.412 2.594 50 30 CFEAMO C=CCn1cc(C[NH2+]Cc2cn3cc(C)ccc3n2)c(C)n1 ZINC000055252263 393620679 /nfs/dbraw/zinc/62/06/79/393620679.db2.gz OFJNDJRVDBJGOL-UHFFFAOYSA-N 1 1 295.390 2.623 50 30 CFEAMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC#N)C1 ZINC000106853268 393867763 /nfs/dbraw/zinc/86/77/63/393867763.db2.gz YLWDVPGPBVQFKC-HOTGVXAUSA-N 1 1 263.429 2.877 50 30 CFEAMO CC(C)[NH+](CC(=O)[C@@H](C#N)c1ccccc1)C(C)C ZINC000004866151 170032651 /nfs/dbraw/zinc/03/26/51/170032651.db2.gz KEYYXIFFPJOMAW-HNNXBMFYSA-N 1 1 258.365 2.982 50 30 CFEAMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000005611353 170119471 /nfs/dbraw/zinc/11/94/71/170119471.db2.gz AZBPRTGHNOEGDK-DOTOQJQBSA-N 1 1 289.419 2.887 50 30 CFEAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000006542197 170211591 /nfs/dbraw/zinc/21/15/91/170211591.db2.gz ODFSAIAJMKSMGR-HNNXBMFYSA-N 1 1 271.364 2.761 50 30 CFEAMO CC(=O)Nc1ccc(NC(=[NH2+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000022521220 171389795 /nfs/dbraw/zinc/38/97/95/171389795.db2.gz FARNDGGYSZQYNV-UHFFFAOYSA-N 1 1 298.302 2.590 50 30 CFEAMO C#CC[N@H+]1Cc2cc(OC)c(OC)cc2C2(CCCC2)C1 ZINC000019702857 275382960 /nfs/dbraw/zinc/38/29/60/275382960.db2.gz MTACYFVKBBSVOS-UHFFFAOYSA-N 1 1 285.387 2.964 50 30 CFEAMO C#CC[N@@H+]1Cc2cc(OC)c(OC)cc2C2(CCCC2)C1 ZINC000019702857 275382961 /nfs/dbraw/zinc/38/29/61/275382961.db2.gz MTACYFVKBBSVOS-UHFFFAOYSA-N 1 1 285.387 2.964 50 30 CFEAMO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000067229985 518648528 /nfs/dbraw/zinc/64/85/28/518648528.db2.gz NVIDTYGKYCJVPZ-UHFFFAOYSA-N 1 1 282.771 2.535 50 30 CFEAMO C[N@H+](Cc1ccccc1)CC1CCN(CCC#N)CC1 ZINC000069486566 523344754 /nfs/dbraw/zinc/34/47/54/523344754.db2.gz HXVYSUWNORXQNE-UHFFFAOYSA-N 1 1 271.408 2.744 50 30 CFEAMO C[C@@H](C#N)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000182019301 526237965 /nfs/dbraw/zinc/23/79/65/526237965.db2.gz OJGVELPMILJLAX-CABCVRRESA-N 1 1 263.429 2.875 50 30 CFEAMO C=CC[C@@H]1[N@H+](CC(=O)NC2(C#N)CCC2)CCCC1(C)C ZINC000332459760 527119740 /nfs/dbraw/zinc/11/97/40/527119740.db2.gz ISHHXXIOMSIBCO-AWEZNQCLSA-N 1 1 289.423 2.616 50 30 CFEAMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCC=CO1 ZINC000225578197 348178678 /nfs/dbraw/zinc/17/86/78/348178678.db2.gz GYJSLYAZBBWDIG-CQSZACIVSA-N 1 1 260.312 2.822 50 30 CFEAMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCC=CO1 ZINC000225578197 348178679 /nfs/dbraw/zinc/17/86/79/348178679.db2.gz GYJSLYAZBBWDIG-CQSZACIVSA-N 1 1 260.312 2.822 50 30 CFEAMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000294699593 199139945 /nfs/dbraw/zinc/13/99/45/199139945.db2.gz ASXLMSZKVNOKNC-OAHLLOKOSA-N 1 1 258.365 2.541 50 30 CFEAMO C=CCc1cc(C[N@@H+]2CC[C@@H](OC)C2)ccc1OC ZINC000670461280 541002511 /nfs/dbraw/zinc/00/25/11/541002511.db2.gz PNFYFXPCBGAZFD-OAHLLOKOSA-N 1 1 261.365 2.644 50 30 CFEAMO C=CCc1cc(C[N@@H+]2CC[C@H](OC)C2)ccc1OC ZINC000670461279 541002651 /nfs/dbraw/zinc/00/26/51/541002651.db2.gz PNFYFXPCBGAZFD-HNNXBMFYSA-N 1 1 261.365 2.644 50 30 CFEAMO N#Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000222442714 189731158 /nfs/dbraw/zinc/73/11/58/189731158.db2.gz MFMRRQZXBVZWQR-HNNXBMFYSA-N 1 1 297.402 2.553 50 30 CFEAMO C[NH+]1CCN(/N=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000000477548 371626561 /nfs/dbraw/zinc/62/65/61/371626561.db2.gz KIYSHYZINRZPMH-OQLLNIDSSA-N 1 1 272.179 2.575 50 30 CFEAMO CCCc1nc(N2CC[NH+](C)CC2)c(C#N)c2c1CCCC2 ZINC000006719978 371891499 /nfs/dbraw/zinc/89/14/99/371891499.db2.gz NLVKDMFKRXNNRD-UHFFFAOYSA-N 1 1 298.434 2.536 50 30 CFEAMO C=CCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000022936368 372248481 /nfs/dbraw/zinc/24/84/81/372248481.db2.gz QWOJPXFEVGZFOX-INIZCTEOSA-N 1 1 274.408 2.825 50 30 CFEAMO C=CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000022936368 372248485 /nfs/dbraw/zinc/24/84/85/372248485.db2.gz QWOJPXFEVGZFOX-INIZCTEOSA-N 1 1 274.408 2.825 50 30 CFEAMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccccc1 ZINC000025820501 372309071 /nfs/dbraw/zinc/30/90/71/372309071.db2.gz ZTVSIBCZZPHEQT-UHFFFAOYSA-N 1 1 299.418 2.850 50 30 CFEAMO C=CCC[C@@H](O)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000033916795 372502952 /nfs/dbraw/zinc/50/29/52/372502952.db2.gz LKQAEEZQANXPAS-GOSISDBHSA-N 1 1 288.435 2.521 50 30 CFEAMO C=CCC[C@@H](O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000033916795 372502959 /nfs/dbraw/zinc/50/29/59/372502959.db2.gz LKQAEEZQANXPAS-GOSISDBHSA-N 1 1 288.435 2.521 50 30 CFEAMO C=CCC[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000033916795 372502966 /nfs/dbraw/zinc/50/29/66/372502966.db2.gz LKQAEEZQANXPAS-GOSISDBHSA-N 1 1 288.435 2.521 50 30 CFEAMO Cc1cc(C[N@H+](C)CCCOc2ccc(C#N)cc2)no1 ZINC000051739400 373408193 /nfs/dbraw/zinc/40/81/93/373408193.db2.gz JKRAGZCPULKCNF-UHFFFAOYSA-N 1 1 285.347 2.756 50 30 CFEAMO Cc1cc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)no1 ZINC000051739400 373408201 /nfs/dbraw/zinc/40/82/01/373408201.db2.gz JKRAGZCPULKCNF-UHFFFAOYSA-N 1 1 285.347 2.756 50 30 CFEAMO N#Cc1ccc(N2CCC[N@@H+](Cc3cccnc3)CC2)cc1 ZINC000052800335 373450969 /nfs/dbraw/zinc/45/09/69/373450969.db2.gz WGJVHDDTCLVFIG-UHFFFAOYSA-N 1 1 292.386 2.666 50 30 CFEAMO C[N@H+](CCCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000053138675 373464256 /nfs/dbraw/zinc/46/42/56/373464256.db2.gz FEXUBSJIRPHFPU-UHFFFAOYSA-N 1 1 254.337 2.608 50 30 CFEAMO C[N@@H+](CCCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000053138675 373464262 /nfs/dbraw/zinc/46/42/62/373464262.db2.gz FEXUBSJIRPHFPU-UHFFFAOYSA-N 1 1 254.337 2.608 50 30 CFEAMO C=CC[N@H+](Cc1ccc(C(N)=O)cc1)C1CCCC1 ZINC000053317312 373473525 /nfs/dbraw/zinc/47/35/25/373473525.db2.gz MAMATBUCYUTVRU-UHFFFAOYSA-N 1 1 258.365 2.716 50 30 CFEAMO N#CCCOCC#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000058482552 373661250 /nfs/dbraw/zinc/66/12/50/373661250.db2.gz IHCHCZPQZATNJV-KRWDZBQOSA-N 1 1 283.375 2.542 50 30 CFEAMO N#CCCOCC#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000058482552 373661260 /nfs/dbraw/zinc/66/12/60/373661260.db2.gz IHCHCZPQZATNJV-KRWDZBQOSA-N 1 1 283.375 2.542 50 30 CFEAMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C#N)C1 ZINC000067788776 374002029 /nfs/dbraw/zinc/00/20/29/374002029.db2.gz LHXLEKOLHKTLEP-OAHLLOKOSA-N 1 1 299.418 2.656 50 30 CFEAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000070038851 374116511 /nfs/dbraw/zinc/11/65/11/374116511.db2.gz HOFCUYOSDRYZIG-QGZVFWFLSA-N 1 1 280.375 2.728 50 30 CFEAMO N#Cc1cc(F)c(N2CCC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000071899494 374229609 /nfs/dbraw/zinc/22/96/09/374229609.db2.gz XVJLTQRKSWNXAS-GFCCVEGCSA-N 1 1 277.318 2.511 50 30 CFEAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)C#N)C1 ZINC000075136970 374460710 /nfs/dbraw/zinc/46/07/10/374460710.db2.gz QBRKPSSOSYHGRX-CYBMUJFWSA-N 1 1 279.428 2.553 50 30 CFEAMO CCOC(=O)c1c(C)c(C)sc1/[NH+]=C/N(C)C ZINC000100843849 375630003 /nfs/dbraw/zinc/63/00/03/375630003.db2.gz CWEIRPJFVUMMHX-NTUHNPAUSA-N 1 1 254.355 2.763 50 30 CFEAMO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1N ZINC000521398336 383294666 /nfs/dbraw/zinc/29/46/66/383294666.db2.gz RFGVHIBRHNUXSW-UHFFFAOYSA-N 1 1 293.370 2.640 50 30 CFEAMO C=CCn1cc(C[N@@H+](C)CCC[C@@H]2CCCO2)c(C)n1 ZINC000055198964 393620204 /nfs/dbraw/zinc/62/02/04/393620204.db2.gz PXSCLPAXTMSGFT-MRXNPFEDSA-N 1 1 277.412 2.769 50 30 CFEAMO C[C@H](CNC(=O)C1(C#N)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000078879062 393713091 /nfs/dbraw/zinc/71/30/91/393713091.db2.gz ZQCFFBOPQMITTM-OAHLLOKOSA-N 1 1 299.418 2.707 50 30 CFEAMO CC[NH+]1CCN(c2oc(-c3cccc(C)c3)nc2C#N)CC1 ZINC000004994571 170051867 /nfs/dbraw/zinc/05/18/67/170051867.db2.gz JGQMMDLLXDVQOL-UHFFFAOYSA-N 1 1 296.374 2.664 50 30 CFEAMO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386124 170281910 /nfs/dbraw/zinc/28/19/10/170281910.db2.gz ZKPHFTGXJVKGKY-MJBXVCDLSA-N 1 1 285.391 2.863 50 30 CFEAMO Fc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013112080 170532046 /nfs/dbraw/zinc/53/20/46/170532046.db2.gz XQWPPFJWBZMAGP-XSFVSMFZSA-N 1 1 297.377 2.977 50 30 CFEAMO C[NH+](C)C[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000020129299 171017436 /nfs/dbraw/zinc/01/74/36/171017436.db2.gz AFZYVDAOYQBPSE-SFHVURJKSA-N 1 1 279.387 2.951 50 30 CFEAMO CC1CC[NH+](CC(=O)Nc2c(C#N)oc3ccccc32)CC1 ZINC000044875194 175269530 /nfs/dbraw/zinc/26/95/30/175269530.db2.gz MIJLEWINWUVTKD-UHFFFAOYSA-N 1 1 297.358 2.975 50 30 CFEAMO O=C(C[n+]1cccc2cccc(O)c21)c1ccc(F)cc1 ZINC000072136534 176322299 /nfs/dbraw/zinc/32/22/99/176322299.db2.gz SQJYGFFMMNTCFI-UHFFFAOYSA-O 1 1 282.294 2.855 50 30 CFEAMO CC[C@H]1CN(Cc2cc(C#N)n(CC)c2)CC[N@H+]1C(C)C ZINC000072162414 176329704 /nfs/dbraw/zinc/32/97/04/176329704.db2.gz OXDMTMHEMLKHEL-INIZCTEOSA-N 1 1 288.439 2.684 50 30 CFEAMO Cc1cscc1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330234432 228075004 /nfs/dbraw/zinc/07/50/04/228075004.db2.gz GJYCNTUAEGPHKZ-SNVBAGLBSA-N 1 1 276.365 2.594 50 30 CFEAMO COC(=O)C(C)(C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000095425735 277307782 /nfs/dbraw/zinc/30/77/82/277307782.db2.gz QACNQBIAFCFLEG-UHFFFAOYSA-N 1 1 288.391 2.871 50 30 CFEAMO COC(=O)C(C)(C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000095425735 277307783 /nfs/dbraw/zinc/30/77/83/277307783.db2.gz QACNQBIAFCFLEG-UHFFFAOYSA-N 1 1 288.391 2.871 50 30 CFEAMO CCc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)on1 ZINC000195550626 324108284 /nfs/dbraw/zinc/10/82/84/324108284.db2.gz JLELBADANUHMTE-NSHDSACASA-N 1 1 255.321 2.959 50 30 CFEAMO C=C(Cl)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069535829 518648359 /nfs/dbraw/zinc/64/83/59/518648359.db2.gz SSVOEKZMTYMALR-OKILXGFUSA-N 1 1 286.847 2.560 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)C=Cc2ccccc2)c1 ZINC000005942875 524148272 /nfs/dbraw/zinc/14/82/72/524148272.db2.gz STBQJENDORKKBP-ZHACJKMWSA-N 1 1 280.327 2.872 50 30 CFEAMO [NH2+]=C(NOC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000004946034 619074569 /nfs/dbraw/zinc/07/45/69/619074569.db2.gz KXUGUCXOCLFZDI-UHFFFAOYSA-N 1 1 274.707 2.817 50 30 CFEAMO Cc1ncsc1CC[N@H+](C)Cc1cc(C#N)n(C)c1C ZINC000952982388 650792049 /nfs/dbraw/zinc/79/20/49/650792049.db2.gz GXPXHWAJWDILAP-UHFFFAOYSA-N 1 1 288.420 2.645 50 30 CFEAMO C#C[C@H](CCC)N[C@]1(C[NH3+])CCC[C@@H](C(C)C)C1 ZINC000229943505 778284522 /nfs/dbraw/zinc/28/45/22/778284522.db2.gz VOJYDWZEUAZVJP-BZUAXINKSA-N 1 1 250.430 2.922 50 30 CFEAMO C#C[C@H](CCC)[NH2+][C@]1(CN)CCC[C@@H](C(C)C)C1 ZINC000229943505 778284514 /nfs/dbraw/zinc/28/45/14/778284514.db2.gz VOJYDWZEUAZVJP-BZUAXINKSA-N 1 1 250.430 2.922 50 30 CFEAMO C=C[C@@H]1CC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000820443837 781869179 /nfs/dbraw/zinc/86/91/79/781869179.db2.gz NPZDPXGPPNRNJT-CYBMUJFWSA-N 1 1 275.417 2.878 50 30 CFEAMO N#Cc1c(N)sc2c1CC[N@H+](CCc1cccs1)C2 ZINC000125124189 187170579 /nfs/dbraw/zinc/17/05/79/187170579.db2.gz ONMVXXQYLYTXEY-UHFFFAOYSA-N 1 1 289.429 2.864 50 30 CFEAMO CCC[N@H+]1CC[C@@H](CNc2nc(C)cc(C)c2C#N)C1 ZINC000091457763 347587454 /nfs/dbraw/zinc/58/74/54/347587454.db2.gz ZTEQZLVXMCVKMF-AWEZNQCLSA-N 1 1 272.396 2.714 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000092022724 180308071 /nfs/dbraw/zinc/30/80/71/180308071.db2.gz IYLJNRRFNOMIIN-QGZVFWFLSA-N 1 1 293.382 2.985 50 30 CFEAMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000294699590 199140789 /nfs/dbraw/zinc/14/07/89/199140789.db2.gz ASXLMSZKVNOKNC-HNNXBMFYSA-N 1 1 258.365 2.541 50 30 CFEAMO C[C@H](CC#N)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091980602 540404063 /nfs/dbraw/zinc/40/40/63/540404063.db2.gz BSVCKQNSWGLWKC-ZIAGYGMSSA-N 1 1 275.371 2.806 50 30 CFEAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cc(C#N)n(C)c1C ZINC000670443559 540997102 /nfs/dbraw/zinc/99/71/02/540997102.db2.gz ZKNCICQDMNYCGM-UHFFFAOYSA-N 1 1 299.422 2.610 50 30 CFEAMO CCCC[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000024165837 372273266 /nfs/dbraw/zinc/27/32/66/372273266.db2.gz PGJNQILATKJVBK-UHFFFAOYSA-N 1 1 265.382 2.680 50 30 CFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)o1)CC(C)C ZINC000036097542 372558534 /nfs/dbraw/zinc/55/85/34/372558534.db2.gz AKTSCLKLBQAPBQ-HNNXBMFYSA-N 1 1 281.396 2.610 50 30 CFEAMO N#Cc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000042251298 372895876 /nfs/dbraw/zinc/89/58/76/372895876.db2.gz KLYFALREGDUHSA-HOTGVXAUSA-N 1 1 256.349 2.702 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000042251298 372895887 /nfs/dbraw/zinc/89/58/87/372895887.db2.gz KLYFALREGDUHSA-HOTGVXAUSA-N 1 1 256.349 2.702 50 30 CFEAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(C#N)c2)C1 ZINC000047415977 373094291 /nfs/dbraw/zinc/09/42/91/373094291.db2.gz WIBXUZKLJOFHLA-GASCZTMLSA-N 1 1 299.418 2.656 50 30 CFEAMO N#CCCNC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000058217640 373633518 /nfs/dbraw/zinc/63/35/18/373633518.db2.gz SXWJSDNJNVJHSC-KRWDZBQOSA-N 1 1 297.402 2.558 50 30 CFEAMO Cc1sc(NC(N)=[NH2+])nc1-c1ccc(Cl)cc1 ZINC000058666729 373665389 /nfs/dbraw/zinc/66/53/89/373665389.db2.gz SQYPJKVWCFAYBP-UHFFFAOYSA-N 1 1 266.757 2.677 50 30 CFEAMO C=CCN1CC[N@@H+](Cc2cccc(Cl)c2)CCC1=O ZINC000064084395 373819139 /nfs/dbraw/zinc/81/91/39/373819139.db2.gz GTDWVPIWWSJFGT-UHFFFAOYSA-N 1 1 278.783 2.560 50 30 CFEAMO C=CCN1CC[N@H+](Cc2cccc(Cl)c2)CCC1=O ZINC000064084395 373819148 /nfs/dbraw/zinc/81/91/48/373819148.db2.gz GTDWVPIWWSJFGT-UHFFFAOYSA-N 1 1 278.783 2.560 50 30 CFEAMO N#Cc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000065452561 373872500 /nfs/dbraw/zinc/87/25/00/373872500.db2.gz XZQLKABVOMPZMG-QGZVFWFLSA-N 1 1 292.386 2.887 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069950231 374112710 /nfs/dbraw/zinc/11/27/10/374112710.db2.gz QHVVTSDDCQIMPC-INIZCTEOSA-N 1 1 284.338 2.558 50 30 CFEAMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000069950231 374112717 /nfs/dbraw/zinc/11/27/17/374112717.db2.gz QHVVTSDDCQIMPC-INIZCTEOSA-N 1 1 284.338 2.558 50 30 CFEAMO COCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CCSC1 ZINC000095446678 375452174 /nfs/dbraw/zinc/45/21/74/375452174.db2.gz BPMNVAOEQIRLTI-OAHLLOKOSA-N 1 1 276.405 2.512 50 30 CFEAMO CC1(C)CC(N2CCCC2)=CC(=[NH+]NCCC#N)C1 ZINC000334157749 378899917 /nfs/dbraw/zinc/89/99/17/378899917.db2.gz ZDPVYCSGTRPERZ-UHFFFAOYSA-N 1 1 260.385 2.645 50 30 CFEAMO C=CC[N@H+](CC(=O)Nc1nc(C)cs1)C1CCCC1 ZINC000048341274 412903267 /nfs/dbraw/zinc/90/32/67/412903267.db2.gz IVGBDUGDJYQGDX-UHFFFAOYSA-N 1 1 279.409 2.821 50 30 CFEAMO Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1COc3ccccc31)C2 ZINC000328592750 382549886 /nfs/dbraw/zinc/54/98/86/382549886.db2.gz KNVSKPJXCBSJPI-ABAIWWIYSA-N 1 1 297.358 2.913 50 30 CFEAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000215594509 382779903 /nfs/dbraw/zinc/77/99/03/382779903.db2.gz RDKHEWWYNWQXPQ-LJQANCHMSA-N 1 1 292.382 2.960 50 30 CFEAMO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CCCC#N ZINC000191618438 130263540 /nfs/dbraw/zinc/26/35/40/130263540.db2.gz FRBMXCMIWQILKM-ZDUSSCGKSA-N 1 1 261.344 2.640 50 30 CFEAMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCCC#N ZINC000191618438 130263543 /nfs/dbraw/zinc/26/35/43/130263543.db2.gz FRBMXCMIWQILKM-ZDUSSCGKSA-N 1 1 261.344 2.640 50 30 CFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1C)C(C)C ZINC000036098908 393522127 /nfs/dbraw/zinc/52/21/27/393522127.db2.gz FGKCUPCEPDQCNU-SFHVURJKSA-N 1 1 289.419 2.525 50 30 CFEAMO C=CC[N@@H+]1CC[C@@H](CNc2cc(C(C)C)nc(C)n2)C1 ZINC000065488679 393631317 /nfs/dbraw/zinc/63/13/17/393631317.db2.gz NNAZBEOOMWQBBY-AWEZNQCLSA-N 1 1 274.412 2.828 50 30 CFEAMO CC#CC[N@H+]1CCC=C(CCNC(=O)C2CCCCC2)C1 ZINC000065464106 393631835 /nfs/dbraw/zinc/63/18/35/393631835.db2.gz LHICDBKJLRXXAK-UHFFFAOYSA-N 1 1 288.435 2.728 50 30 CFEAMO CC(C)c1nc2c(n1C)CC[N@@H+](CCCCC#N)C2 ZINC000069512465 393637346 /nfs/dbraw/zinc/63/73/46/393637346.db2.gz JPFYRLFQHCWKQI-UHFFFAOYSA-N 1 1 260.385 2.595 50 30 CFEAMO C[C@@H](CC#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000585105568 395100338 /nfs/dbraw/zinc/10/03/38/395100338.db2.gz DUMAHOBKUGONLZ-HOTGVXAUSA-N 1 1 299.418 2.659 50 30 CFEAMO CC[NH+]1CCN(c2nsc(-c3ccccc3)c2C#N)CC1 ZINC000046088105 397580134 /nfs/dbraw/zinc/58/01/34/397580134.db2.gz RNWRHILTXDBWAG-UHFFFAOYSA-N 1 1 298.415 2.824 50 30 CFEAMO CC[NH+](CC)Cc1cc(CC#N)c2cccnc2c1O ZINC000252485136 397628484 /nfs/dbraw/zinc/62/84/84/397628484.db2.gz GNYRYZLOMPBFKD-UHFFFAOYSA-N 1 1 269.348 2.848 50 30 CFEAMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(OC)cc1 ZINC000005591651 170116940 /nfs/dbraw/zinc/11/69/40/170116940.db2.gz VWOJKWXFLOVAFR-UHFFFAOYSA-N 1 1 276.380 2.922 50 30 CFEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000005936334 170158540 /nfs/dbraw/zinc/15/85/40/170158540.db2.gz XEYJCGJAFIJQDT-STQMWFEESA-N 1 1 271.364 2.617 50 30 CFEAMO C=CCOc1ccc(C[NH2+]CCCN(C)C)cc1OCC ZINC000008254458 170327358 /nfs/dbraw/zinc/32/73/58/170327358.db2.gz SATOZEBJGCEWJK-UHFFFAOYSA-N 1 1 292.423 2.691 50 30 CFEAMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000071904388 176295082 /nfs/dbraw/zinc/29/50/82/176295082.db2.gz MNSDUPKEEQQAOT-GOSISDBHSA-N 1 1 296.370 2.732 50 30 CFEAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCCC#N)C[C@H]12 ZINC000097112743 277203064 /nfs/dbraw/zinc/20/30/64/277203064.db2.gz VCUYWHZLHSWDKW-HZSPNIEDSA-N 1 1 293.411 2.525 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)C2CCCCC2)c1 ZINC000012655286 534569952 /nfs/dbraw/zinc/56/99/52/534569952.db2.gz CRGARLQAAMVSNY-UHFFFAOYSA-N 1 1 260.337 2.739 50 30 CFEAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000069455047 523853091 /nfs/dbraw/zinc/85/30/91/523853091.db2.gz CBSJLXSYVQUNEP-GJZGRUSLSA-N 1 1 289.423 2.546 50 30 CFEAMO C[C@H](C#N)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000248460467 525922572 /nfs/dbraw/zinc/92/25/72/525922572.db2.gz OJGVELPMILJLAX-LSDHHAIUSA-N 1 1 263.429 2.875 50 30 CFEAMO CC(C)(O)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000097034049 185157263 /nfs/dbraw/zinc/15/72/63/185157263.db2.gz KVPKYUKJSRCPIZ-UHFFFAOYSA-N 1 1 284.359 2.924 50 30 CFEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H]1CCCCO1 ZINC000126044709 187213161 /nfs/dbraw/zinc/21/31/61/187213161.db2.gz YCYYVXIYNPKHHE-OAHLLOKOSA-N 1 1 283.375 2.812 50 30 CFEAMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H]1CCCCO1 ZINC000126044709 187213163 /nfs/dbraw/zinc/21/31/63/187213163.db2.gz YCYYVXIYNPKHHE-OAHLLOKOSA-N 1 1 283.375 2.812 50 30 CFEAMO Cc1ccc(C)c(OCC(=O)ONC(=[NH2+])c2ccccc2)c1 ZINC000004804090 346210330 /nfs/dbraw/zinc/21/03/30/346210330.db2.gz NUDKYHXNMCAYAM-UHFFFAOYSA-N 1 1 298.342 2.546 50 30 CFEAMO C[N@@H+](Cc1cc(C#N)ccc1F)CC1(C)CCOCC1 ZINC000097375193 347709275 /nfs/dbraw/zinc/70/92/75/347709275.db2.gz WFZVNTLIAZZUMM-UHFFFAOYSA-N 1 1 276.355 2.946 50 30 CFEAMO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)CC#N)CC1 ZINC000091980601 540404119 /nfs/dbraw/zinc/40/41/19/540404119.db2.gz BSVCKQNSWGLWKC-UONOGXRCSA-N 1 1 275.371 2.806 50 30 CFEAMO C=CCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1 ZINC000022936365 372247549 /nfs/dbraw/zinc/24/75/49/372247549.db2.gz QWOJPXFEVGZFOX-MRXNPFEDSA-N 1 1 274.408 2.825 50 30 CFEAMO C=CCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000022936365 372247556 /nfs/dbraw/zinc/24/75/56/372247556.db2.gz QWOJPXFEVGZFOX-MRXNPFEDSA-N 1 1 274.408 2.825 50 30 CFEAMO C[C@@H]1c2cccn2CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000023706809 372264488 /nfs/dbraw/zinc/26/44/88/372264488.db2.gz CILPHOQVIIQSDK-CQSZACIVSA-N 1 1 281.359 2.815 50 30 CFEAMO C[C@@H]1c2cccn2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000023706809 372264496 /nfs/dbraw/zinc/26/44/96/372264496.db2.gz CILPHOQVIIQSDK-CQSZACIVSA-N 1 1 281.359 2.815 50 30 CFEAMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000032928726 372478156 /nfs/dbraw/zinc/47/81/56/372478156.db2.gz OWLFLFCXFHGILN-KRWDZBQOSA-N 1 1 271.408 2.864 50 30 CFEAMO C=C(C)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000058918690 373675113 /nfs/dbraw/zinc/67/51/13/373675113.db2.gz RNTWGGLMPZZIOI-CQSZACIVSA-N 1 1 274.412 2.760 50 30 CFEAMO CCC#CC[N@H+]1CCC=C([C@H](CC(C)C)NC(C)=O)C1 ZINC000065405286 373865909 /nfs/dbraw/zinc/86/59/09/373865909.db2.gz LJOMNJWYFCNGQB-KRWDZBQOSA-N 1 1 276.424 2.583 50 30 CFEAMO C[C@@H]1CCCC[N@H+]1CCN(C)Cc1ccccc1C#N ZINC000067697443 373993534 /nfs/dbraw/zinc/99/35/34/373993534.db2.gz SXGMUOXAGUJXGF-OAHLLOKOSA-N 1 1 271.408 2.864 50 30 CFEAMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000069371633 374057787 /nfs/dbraw/zinc/05/77/87/374057787.db2.gz FTLPTELRLOKSHV-ZDUSSCGKSA-N 1 1 294.830 2.936 50 30 CFEAMO C=C(Cl)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000069371633 374057790 /nfs/dbraw/zinc/05/77/90/374057790.db2.gz FTLPTELRLOKSHV-ZDUSSCGKSA-N 1 1 294.830 2.936 50 30 CFEAMO C=CCC[C@H](C[N@H+](C)CC)Oc1ccnc(OC)c1C#N ZINC000072470534 374256355 /nfs/dbraw/zinc/25/63/55/374256355.db2.gz AQQHBQYFYLQGOL-CYBMUJFWSA-N 1 1 289.379 2.627 50 30 CFEAMO COC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000079090945 374592047 /nfs/dbraw/zinc/59/20/47/374592047.db2.gz PUDMEYZUMOISQN-GFCCVEGCSA-N 1 1 262.328 2.556 50 30 CFEAMO COC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000079090945 374592055 /nfs/dbraw/zinc/59/20/55/374592055.db2.gz PUDMEYZUMOISQN-GFCCVEGCSA-N 1 1 262.328 2.556 50 30 CFEAMO C[N@H+](CCc1ccncc1)Cc1cc(F)ccc1C#N ZINC000097235673 375543703 /nfs/dbraw/zinc/54/37/03/375543703.db2.gz QCFOKBVLYMVJDQ-UHFFFAOYSA-N 1 1 269.323 2.767 50 30 CFEAMO C[N@@H+](CCc1ccncc1)Cc1cc(F)ccc1C#N ZINC000097235673 375543709 /nfs/dbraw/zinc/54/37/09/375543709.db2.gz QCFOKBVLYMVJDQ-UHFFFAOYSA-N 1 1 269.323 2.767 50 30 CFEAMO C[C@@H](NC(=O)Cn1cc2ccccc2n1)C1=CC[N@@H+](C)CC1 ZINC000329714290 378485561 /nfs/dbraw/zinc/48/55/61/378485561.db2.gz STSDQPILPXVHDK-CYBMUJFWSA-N 1 1 298.390 2.643 50 30 CFEAMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1cc(C#N)ccn1 ZINC000299760322 382044118 /nfs/dbraw/zinc/04/41/18/382044118.db2.gz PWRUHCSILMWACS-KRWDZBQOSA-N 1 1 281.359 2.509 50 30 CFEAMO C[N@@H+](CCSc1ccc(C#N)nn1)Cc1ccccc1 ZINC000225713862 382820555 /nfs/dbraw/zinc/82/05/55/382820555.db2.gz JXJSQFKUQHKXCH-UHFFFAOYSA-N 1 1 284.388 2.572 50 30 CFEAMO Fc1ccccc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000240824916 382982429 /nfs/dbraw/zinc/98/24/29/382982429.db2.gz QMBNPQTYBJXJAK-UHFFFAOYSA-N 1 1 297.377 2.977 50 30 CFEAMO CC[N@@H+](C)Cc1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000068226323 393634053 /nfs/dbraw/zinc/63/40/53/393634053.db2.gz AYXOSEOZUCMEGK-UHFFFAOYSA-N 1 1 299.418 2.838 50 30 CFEAMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC#N)C1 ZINC000071905289 393641560 /nfs/dbraw/zinc/64/15/60/393641560.db2.gz YLWDVPGPBVQFKC-HZPDHXFCSA-N 1 1 263.429 2.877 50 30 CFEAMO CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092797005 393791650 /nfs/dbraw/zinc/79/16/50/393791650.db2.gz JUNRHYVUYCLCTA-KRWDZBQOSA-N 1 1 299.418 2.758 50 30 CFEAMO CC[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+](C)C)sc2C1 ZINC000006731006 170235635 /nfs/dbraw/zinc/23/56/35/170235635.db2.gz CKPFLOHZIXYVJN-SNVBAGLBSA-N 1 1 291.420 2.635 50 30 CFEAMO C=CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000044868014 175268106 /nfs/dbraw/zinc/26/81/06/175268106.db2.gz PQTCZZKMLZRFLH-UHFFFAOYSA-N 1 1 280.799 2.522 50 30 CFEAMO C=CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000044868014 175268107 /nfs/dbraw/zinc/26/81/07/175268107.db2.gz PQTCZZKMLZRFLH-UHFFFAOYSA-N 1 1 280.799 2.522 50 30 CFEAMO N#Cc1ccccc1-c1ccc(CN2CC[C@@H](C[NH3+])C2)o1 ZINC000071681964 176245714 /nfs/dbraw/zinc/24/57/14/176245714.db2.gz XQSNDDYQDSNISK-ZDUSSCGKSA-N 1 1 281.359 2.599 50 30 CFEAMO C=C(Br)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000096447064 518582176 /nfs/dbraw/zinc/58/21/76/518582176.db2.gz HBLIGRNSHTWICU-CYBMUJFWSA-N 1 1 287.245 2.559 50 30 CFEAMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000096483371 526886007 /nfs/dbraw/zinc/88/60/07/526886007.db2.gz YSWBBZMLDXDBTG-JQWIXIFHSA-N 1 1 288.819 2.974 50 30 CFEAMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000096483371 526886010 /nfs/dbraw/zinc/88/60/10/526886010.db2.gz YSWBBZMLDXDBTG-JQWIXIFHSA-N 1 1 288.819 2.974 50 30 CFEAMO C#C[C@H](CCC)[NH2+][C@@]1(CN)CCC[C@@H](C(C)C)C1 ZINC000229943495 778284658 /nfs/dbraw/zinc/28/46/58/778284658.db2.gz VOJYDWZEUAZVJP-OAGGEKHMSA-N 1 1 250.430 2.922 50 30 CFEAMO C#C[C@H](CCC)N[C@@]1(C[NH3+])CCC[C@@H](C(C)C)C1 ZINC000229943495 778284663 /nfs/dbraw/zinc/28/46/63/778284663.db2.gz VOJYDWZEUAZVJP-OAGGEKHMSA-N 1 1 250.430 2.922 50 30 CFEAMO N#Cc1cccnc1NCCNc1cc[nH+]cc1Cl ZINC000096454005 230376736 /nfs/dbraw/zinc/37/67/36/230376736.db2.gz YZBBFMKGANSXRH-UHFFFAOYSA-N 1 1 273.727 2.526 50 30 CFEAMO CN(C)C=[NH+]c1ncnc2sc3c(c21)CCCC3 ZINC000003069517 346207716 /nfs/dbraw/zinc/20/77/16/346207716.db2.gz WRXNGYRJZAVWTA-UHFFFAOYSA-N 1 1 260.366 2.792 50 30 CFEAMO Cc1c(C[N@H+](C)[C@H](C)c2ccncc2)cc(C#N)n1C ZINC000195561901 348146831 /nfs/dbraw/zinc/14/68/31/348146831.db2.gz UMVRUUJIYIOKMN-GFCCVEGCSA-N 1 1 268.364 2.793 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC000078901057 539643715 /nfs/dbraw/zinc/64/37/15/539643715.db2.gz MVTVBNLDJQBULZ-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000078901057 539643719 /nfs/dbraw/zinc/64/37/19/539643719.db2.gz MVTVBNLDJQBULZ-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000078901057 539643724 /nfs/dbraw/zinc/64/37/24/539643724.db2.gz MVTVBNLDJQBULZ-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC000078901061 539643396 /nfs/dbraw/zinc/64/33/96/539643396.db2.gz MVTVBNLDJQBULZ-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000078901061 539643399 /nfs/dbraw/zinc/64/33/99/539643399.db2.gz MVTVBNLDJQBULZ-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000078901061 539643403 /nfs/dbraw/zinc/64/34/03/539643403.db2.gz MVTVBNLDJQBULZ-INIZCTEOSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1[nH]c(C[N@H+]2CCCC3(CCOCC3)C2)cc1C#N ZINC000584900641 348732252 /nfs/dbraw/zinc/73/22/52/348732252.db2.gz UOGNFJCKKAUMOM-UHFFFAOYSA-N 1 1 273.380 2.587 50 30 CFEAMO N#Cc1cccc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)c1 ZINC000091636466 180211678 /nfs/dbraw/zinc/21/16/78/180211678.db2.gz QZXXMXWJJWJULH-GOSISDBHSA-N 1 1 284.403 2.933 50 30 CFEAMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)c1 ZINC000352389967 540248341 /nfs/dbraw/zinc/24/83/41/540248341.db2.gz ATPWYJFZBXWDCT-KRWDZBQOSA-N 1 1 280.375 2.705 50 30 CFEAMO Cc1cccc(C(=O)O/N=C2\C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000005730696 371887117 /nfs/dbraw/zinc/88/71/17/371887117.db2.gz WSBKLQGARDLANT-BREGNPSQSA-N 1 1 274.364 2.868 50 30 CFEAMO CC[C@H](c1nnc(Sc2ncccc2C#N)o1)[NH+](C)C ZINC000012521818 371968672 /nfs/dbraw/zinc/96/86/72/371968672.db2.gz FIRHWLCDUJWJFH-SNVBAGLBSA-N 1 1 289.364 2.500 50 30 CFEAMO C[C@@H]1C/C(=N\OC(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013478170 372029787 /nfs/dbraw/zinc/02/97/87/372029787.db2.gz BHUGEYWWNUWAAY-NZQCTYEBSA-N 1 1 260.337 2.560 50 30 CFEAMO Fc1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771319 372183543 /nfs/dbraw/zinc/18/35/43/372183543.db2.gz QMBNPQTYBJXJAK-XSFVSMFZSA-N 1 1 297.377 2.977 50 30 CFEAMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000024167197 372273207 /nfs/dbraw/zinc/27/32/07/372273207.db2.gz HSEXNLGLVKMHHJ-LLVKDONJSA-N 1 1 277.393 2.823 50 30 CFEAMO Cc1oc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000025948626 372310455 /nfs/dbraw/zinc/31/04/55/372310455.db2.gz FCRUTIXOBAAFRI-GHMZBOCLSA-N 1 1 289.379 2.685 50 30 CFEAMO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328156 372317653 /nfs/dbraw/zinc/31/76/53/372317653.db2.gz WWYQGLWEUCWIHJ-HNNXBMFYSA-N 1 1 299.418 2.781 50 30 CFEAMO C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328156 372317657 /nfs/dbraw/zinc/31/76/57/372317657.db2.gz WWYQGLWEUCWIHJ-HNNXBMFYSA-N 1 1 299.418 2.781 50 30 CFEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1 ZINC000026328038 372318615 /nfs/dbraw/zinc/31/86/15/372318615.db2.gz JVVINOKKMVGGEX-KRWDZBQOSA-N 1 1 266.344 2.724 50 30 CFEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000045003388 373012201 /nfs/dbraw/zinc/01/22/01/373012201.db2.gz JLNAKOUQJGPVQC-SJLPKXTDSA-N 1 1 299.418 2.660 50 30 CFEAMO Cc1csc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000048008511 373139558 /nfs/dbraw/zinc/13/95/58/373139558.db2.gz XROXPODERZCMKI-UHFFFAOYSA-N 1 1 298.415 2.645 50 30 CFEAMO N#Cc1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000057312421 373585892 /nfs/dbraw/zinc/58/58/92/373585892.db2.gz YCFAJVKKFMNCRM-UHFFFAOYSA-N 1 1 293.370 2.586 50 30 CFEAMO C=CCSCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000065613197 373895370 /nfs/dbraw/zinc/89/53/70/373895370.db2.gz IEUCDPJQLBBSEI-UHFFFAOYSA-N 1 1 292.448 2.674 50 30 CFEAMO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000069580656 374077284 /nfs/dbraw/zinc/07/72/84/374077284.db2.gz WNDCLFGLUBFRQH-NRFANRHFSA-N 1 1 298.411 2.798 50 30 CFEAMO C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000069580656 374077289 /nfs/dbraw/zinc/07/72/89/374077289.db2.gz WNDCLFGLUBFRQH-NRFANRHFSA-N 1 1 298.411 2.798 50 30 CFEAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000069741045 374091771 /nfs/dbraw/zinc/09/17/71/374091771.db2.gz PGTOLCYYJIYNSR-SJORKVTESA-N 1 1 297.402 2.647 50 30 CFEAMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)CSC ZINC000095431394 375446899 /nfs/dbraw/zinc/44/68/99/375446899.db2.gz VMJYPLDXUWOBMZ-NSHDSACASA-N 1 1 264.394 2.750 50 30 CFEAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 ZINC000097378283 375557352 /nfs/dbraw/zinc/55/73/52/375557352.db2.gz QPYPWNQMZWPQOC-KDOFPFPSSA-N 1 1 295.386 2.761 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 ZINC000097378283 375557358 /nfs/dbraw/zinc/55/73/58/375557358.db2.gz QPYPWNQMZWPQOC-KDOFPFPSSA-N 1 1 295.386 2.761 50 30 CFEAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)c1 ZINC000352389968 382303977 /nfs/dbraw/zinc/30/39/77/382303977.db2.gz ATPWYJFZBXWDCT-QGZVFWFLSA-N 1 1 280.375 2.705 50 30 CFEAMO C=CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000328594326 382550725 /nfs/dbraw/zinc/55/07/25/382550725.db2.gz BKQBNQNFEXCMHK-UHFFFAOYSA-N 1 1 259.284 2.962 50 30 CFEAMO COc1ccnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1OC ZINC000225577902 382818526 /nfs/dbraw/zinc/81/85/26/382818526.db2.gz UXDRDPLQTSHOKJ-GFCCVEGCSA-N 1 1 297.358 2.821 50 30 CFEAMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)nc2)[C@H]1c1ccccc1 ZINC000225599700 382818925 /nfs/dbraw/zinc/81/89/25/382818925.db2.gz RFFAENLKMKGDHP-IAGOWNOFSA-N 1 1 278.359 2.811 50 30 CFEAMO C[C@H](C#N)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248460466 383247404 /nfs/dbraw/zinc/24/74/04/383247404.db2.gz OJGVELPMILJLAX-HUUCEWRRSA-N 1 1 263.429 2.875 50 30 CFEAMO C[NH+]1CCN(/N=C/c2ccc(Cl)cc2Cl)CC1 ZINC000005030075 170058142 /nfs/dbraw/zinc/05/81/42/170058142.db2.gz HIIYDUCRDGJNOK-OQLLNIDSSA-N 1 1 272.179 2.575 50 30 CFEAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000007845702 170304855 /nfs/dbraw/zinc/30/48/55/170304855.db2.gz UBKGOXOXRNMDIZ-UHFFFAOYSA-N 1 1 299.399 2.999 50 30 CFEAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000007845702 170304856 /nfs/dbraw/zinc/30/48/56/170304856.db2.gz UBKGOXOXRNMDIZ-UHFFFAOYSA-N 1 1 299.399 2.999 50 30 CFEAMO C[C@H](CNc1ncccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000040511151 174304475 /nfs/dbraw/zinc/30/44/75/174304475.db2.gz GRAMBSIKOAMRMJ-GFCCVEGCSA-N 1 1 298.415 2.873 50 30 CFEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000045003389 175287776 /nfs/dbraw/zinc/28/77/76/175287776.db2.gz JLNAKOUQJGPVQC-AEFFLSMTSA-N 1 1 299.418 2.660 50 30 CFEAMO CC(C)[N@H+]1CC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000060355886 175636913 /nfs/dbraw/zinc/63/69/13/175636913.db2.gz NAAMBKAJMKPXGT-GFCCVEGCSA-N 1 1 261.344 2.840 50 30 CFEAMO C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1cc[nH+]c1CC ZINC000071749901 176259309 /nfs/dbraw/zinc/25/93/09/176259309.db2.gz GOCBOFPTCQIJIN-ZIAGYGMSSA-N 1 1 273.380 2.567 50 30 CFEAMO C[N@@H+](Cc1ccc(C#CCO)s1)C1Cc2ccccc2C1 ZINC000067649001 523206216 /nfs/dbraw/zinc/20/62/16/523206216.db2.gz UBTJRNCBQYXHQE-UHFFFAOYSA-N 1 1 297.423 2.691 50 30 CFEAMO C=C(Br)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000096490934 526428972 /nfs/dbraw/zinc/42/89/72/526428972.db2.gz YAYDPPKRAZEKMD-LBPRGKRZSA-N 1 1 270.170 2.608 50 30 CFEAMO OC1(C#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)CCCC1 ZINC000055243742 527505801 /nfs/dbraw/zinc/50/58/01/527505801.db2.gz MQNVBNMTCBVWDQ-QGZVFWFLSA-N 1 1 284.403 2.917 50 30 CFEAMO OC1(C#CC[N@H+]2CCCC[C@@H]2c2cccnc2)CCCC1 ZINC000055243742 527505805 /nfs/dbraw/zinc/50/58/05/527505805.db2.gz MQNVBNMTCBVWDQ-QGZVFWFLSA-N 1 1 284.403 2.917 50 30 CFEAMO C[N@@H+](CCOc1cccc(F)c1)Cc1ccc(C#N)o1 ZINC000095982786 185053868 /nfs/dbraw/zinc/05/38/68/185053868.db2.gz HJCJWTKNYJGFPW-UHFFFAOYSA-N 1 1 274.295 2.801 50 30 CFEAMO Cn1c2ccccc2nc1C[N@H+](C)CCCSCC#N ZINC000083242933 178367137 /nfs/dbraw/zinc/36/71/37/178367137.db2.gz NDUOXMJVCQOTNT-UHFFFAOYSA-N 1 1 288.420 2.652 50 30 CFEAMO Cn1c2ccccc2nc1C[N@@H+](C)CCCSCC#N ZINC000083242933 178367139 /nfs/dbraw/zinc/36/71/39/178367139.db2.gz NDUOXMJVCQOTNT-UHFFFAOYSA-N 1 1 288.420 2.652 50 30 CFEAMO CCC[N@@H+](C)CCC(=O)N[C@@H](C#N)c1cccc(Cl)c1 ZINC000075137392 347058376 /nfs/dbraw/zinc/05/83/76/347058376.db2.gz RAJYGUOZMHVVKI-AWEZNQCLSA-N 1 1 293.798 2.753 50 30 CFEAMO COc1ccc(C(C)=O)cc1CO[NH+]=C(N)C1CCCC1 ZINC000060741955 346671112 /nfs/dbraw/zinc/67/11/12/346671112.db2.gz WVJHDGQBKSAHHP-UHFFFAOYSA-N 1 1 290.363 2.877 50 30 CFEAMO CCn1cc(C[N@H+](C)Cc2cc(C#N)n(CC)c2)c(C)n1 ZINC000584903599 348733454 /nfs/dbraw/zinc/73/34/54/348733454.db2.gz DLUNAVCTPIWBHT-UHFFFAOYSA-N 1 1 285.395 2.537 50 30 CFEAMO CCn1cc(C[N@@H+](C)Cc2cc(C#N)n(CC)c2)c(C)n1 ZINC000584903599 348733459 /nfs/dbraw/zinc/73/34/59/348733459.db2.gz DLUNAVCTPIWBHT-UHFFFAOYSA-N 1 1 285.395 2.537 50 30 CFEAMO N#CCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106641600 186130003 /nfs/dbraw/zinc/13/00/03/186130003.db2.gz UALKFPPCSGABGH-SJORKVTESA-N 1 1 269.392 2.639 50 30 CFEAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000003564860 371809241 /nfs/dbraw/zinc/80/92/41/371809241.db2.gz PBBJKQWIPUSHPX-NSHDSACASA-N 1 1 291.782 2.882 50 30 CFEAMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000012592708 371977849 /nfs/dbraw/zinc/97/78/49/371977849.db2.gz ZWYIXJJDJBZZGE-LLVKDONJSA-N 1 1 277.393 2.680 50 30 CFEAMO C=CCC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012591038 371978356 /nfs/dbraw/zinc/97/83/56/371978356.db2.gz TYDVRTWEPIALLO-AWEZNQCLSA-N 1 1 264.413 2.866 50 30 CFEAMO COc1ccc(/[NH+]=C(/NN)c2ccc3ccccc3n2)cc1 ZINC000012730463 371983308 /nfs/dbraw/zinc/98/33/08/371983308.db2.gz BKWDCJQMWAHEJH-UHFFFAOYSA-N 1 1 292.342 2.785 50 30 CFEAMO COc1ccc(/C=N/[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013756399 372048362 /nfs/dbraw/zinc/04/83/62/372048362.db2.gz CZTMDZPKDBTDSQ-AAJZHJOBSA-N 1 1 260.381 2.843 50 30 CFEAMO N#Cc1ccc(OCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000019815393 372192384 /nfs/dbraw/zinc/19/23/84/372192384.db2.gz QUUYWORSOMJZKQ-UHFFFAOYSA-N 1 1 278.355 2.995 50 30 CFEAMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846828 372200974 /nfs/dbraw/zinc/20/09/74/372200974.db2.gz FKRGYEZKLGJVFO-GFCCVEGCSA-N 1 1 259.353 2.617 50 30 CFEAMO Cc1oc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000025948637 372310914 /nfs/dbraw/zinc/31/09/14/372310914.db2.gz FCRUTIXOBAAFRI-QWRGUYRKSA-N 1 1 289.379 2.685 50 30 CFEAMO Cc1ccccc1C[N@H+]1CCCN(CCCC#N)CC1 ZINC000045943514 373037175 /nfs/dbraw/zinc/03/71/75/373037175.db2.gz MRLHRNDIEUBWSL-UHFFFAOYSA-N 1 1 271.408 2.807 50 30 CFEAMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000058055766 373625294 /nfs/dbraw/zinc/62/52/94/373625294.db2.gz KPKPHFVJODZKSK-LBPRGKRZSA-N 1 1 288.351 2.610 50 30 CFEAMO N#CCCOCC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000058482553 373661447 /nfs/dbraw/zinc/66/14/47/373661447.db2.gz IHCHCZPQZATNJV-QGZVFWFLSA-N 1 1 283.375 2.542 50 30 CFEAMO N#CCCOCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000058482553 373661452 /nfs/dbraw/zinc/66/14/52/373661452.db2.gz IHCHCZPQZATNJV-QGZVFWFLSA-N 1 1 283.375 2.542 50 30 CFEAMO C=C(C)COc1c(OC)cccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000065371779 373859414 /nfs/dbraw/zinc/85/94/14/373859414.db2.gz KCFJBQPONMEIQC-OAHLLOKOSA-N 1 1 299.374 2.608 50 30 CFEAMO Cc1cc(C)n(CCC[N@H+](C)Cc2ccccc2C#N)n1 ZINC000065386858 373864044 /nfs/dbraw/zinc/86/40/44/373864044.db2.gz YKYBUYPNIHUUML-UHFFFAOYSA-N 1 1 282.391 2.894 50 30 CFEAMO COC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000079090947 374592870 /nfs/dbraw/zinc/59/28/70/374592870.db2.gz PUDMEYZUMOISQN-LBPRGKRZSA-N 1 1 262.328 2.556 50 30 CFEAMO COC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000079090947 374592873 /nfs/dbraw/zinc/59/28/73/374592873.db2.gz PUDMEYZUMOISQN-LBPRGKRZSA-N 1 1 262.328 2.556 50 30 CFEAMO N#CCC[N@@H+](CCOc1ccccc1F)C1CCOCC1 ZINC000095400903 375432263 /nfs/dbraw/zinc/43/22/63/375432263.db2.gz HKAJRDAQIZVKOA-UHFFFAOYSA-N 1 1 292.354 2.599 50 30 CFEAMO N#CCC[N@H+](CCOc1ccccc1F)C1CCOCC1 ZINC000095400903 375432271 /nfs/dbraw/zinc/43/22/71/375432271.db2.gz HKAJRDAQIZVKOA-UHFFFAOYSA-N 1 1 292.354 2.599 50 30 CFEAMO C=C(C)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195260838 382765568 /nfs/dbraw/zinc/76/55/68/382765568.db2.gz NIEBJQOMSCNBGT-AWEZNQCLSA-N 1 1 279.453 2.781 50 30 CFEAMO C=CCn1cc(CN(C)CC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000230117793 382856104 /nfs/dbraw/zinc/85/61/04/382856104.db2.gz LBGQTCSVEPUDCD-OAHLLOKOSA-N 1 1 290.455 2.684 50 30 CFEAMO N#Cc1ccc(N)c(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000521398319 383294957 /nfs/dbraw/zinc/29/49/57/383294957.db2.gz JCPHJZYTNOWVKZ-UHFFFAOYSA-N 1 1 293.370 2.640 50 30 CFEAMO C=CCc1ccccc1OCC[N@@H+](C)Cc1c[nH]cn1 ZINC000055393016 393620908 /nfs/dbraw/zinc/62/09/08/393620908.db2.gz DCWWNWQEKFYGCV-UHFFFAOYSA-N 1 1 271.364 2.649 50 30 CFEAMO C=CCc1ccccc1OCC[N@H+](C)Cc1c[nH]cn1 ZINC000055393016 393620912 /nfs/dbraw/zinc/62/09/12/393620912.db2.gz DCWWNWQEKFYGCV-UHFFFAOYSA-N 1 1 271.364 2.649 50 30 CFEAMO Cc1ccccc1[C@H](C(=O)N1CCC(C)(C#N)CC1)[NH+](C)C ZINC000217624258 393756850 /nfs/dbraw/zinc/75/68/50/393756850.db2.gz CDAOJYUTFZBEQL-MRXNPFEDSA-N 1 1 299.418 2.750 50 30 CFEAMO O=C1C[C@H](c2ccco2)CC2=[NH+][C@@H]3CCCC[C@H]3NC=C12 ZINC000239030578 393796880 /nfs/dbraw/zinc/79/68/80/393796880.db2.gz CBZHXTFUQISHNY-MRVWCRGKSA-N 1 1 284.359 2.965 50 30 CFEAMO C=C(Cl)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046828 543090572 /nfs/dbraw/zinc/09/05/72/543090572.db2.gz IWXMXVBJFMSYEB-GFCCVEGCSA-N 1 1 284.831 2.709 50 30 CFEAMO N#CCCNC(=O)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000047651368 397587332 /nfs/dbraw/zinc/58/73/32/397587332.db2.gz AFEMSMQEFQZMPI-UHFFFAOYSA-N 1 1 299.418 2.851 50 30 CFEAMO COc1ccc(C=NNc2cc[nH+]cc2)cc1OC ZINC000006490733 170206060 /nfs/dbraw/zinc/20/60/60/170206060.db2.gz XVELVHTVNSOPLM-MHWRWJLKSA-N 1 1 257.293 2.545 50 30 CFEAMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046406985 175396320 /nfs/dbraw/zinc/39/63/20/175396320.db2.gz OIKGUPVTNBROOJ-UHFFFAOYSA-N 1 1 255.321 2.795 50 30 CFEAMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046406985 175396321 /nfs/dbraw/zinc/39/63/21/175396321.db2.gz OIKGUPVTNBROOJ-UHFFFAOYSA-N 1 1 255.321 2.795 50 30 CFEAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000072150675 176326944 /nfs/dbraw/zinc/32/69/44/176326944.db2.gz SMBGIDOCRBQSSI-MRXNPFEDSA-N 1 1 286.375 2.866 50 30 CFEAMO CC(C)[NH+](CC(=O)[C@H](C#N)c1ccccc1)C(C)C ZINC000004866153 260016558 /nfs/dbraw/zinc/01/65/58/260016558.db2.gz KEYYXIFFPJOMAW-OAHLLOKOSA-N 1 1 258.365 2.982 50 30 CFEAMO C=CCCC(=O)NC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000534589496 328317298 /nfs/dbraw/zinc/31/72/98/328317298.db2.gz OIAVZYFFTRGKTL-CQSZACIVSA-N 1 1 264.413 2.723 50 30 CFEAMO C=CC[N@@H+]1CCC[C@H]1C(=O)NC1(Cc2ccccc2C)CC1 ZINC000534663398 328351286 /nfs/dbraw/zinc/35/12/86/328351286.db2.gz BSVIGENWECMLAW-KRWDZBQOSA-N 1 1 298.430 2.837 50 30 CFEAMO N#CCCOCCC#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000055382697 526463019 /nfs/dbraw/zinc/46/30/19/526463019.db2.gz WFOPXJCHESDCGB-SFHVURJKSA-N 1 1 297.402 2.932 50 30 biogenic,in-vitro CFEAMO CN(C)C=[NH+]c1cnc(C(=O)c2ccc(Cl)cc2)n1C ZINC000254296200 651084734 /nfs/dbraw/zinc/08/47/34/651084734.db2.gz ZVWPLEKSOVGPEQ-UHFFFAOYSA-N 1 1 290.754 2.526 50 30 aggregator CFEAMO CC[N@H+]1CC[C@@H](Nc2nc(C(C)C)ccc2C#N)C1 ZINC000823104897 781921883 /nfs/dbraw/zinc/92/18/83/781921883.db2.gz JJFWRRGAGIZLAG-CYBMUJFWSA-N 1 1 258.369 2.583 50 30 CFEAMO N#Cc1cccc(-c2nc([C@@H]3CCCCC[NH2+]3)no2)c1 ZINC000096001504 347699852 /nfs/dbraw/zinc/69/98/52/347699852.db2.gz FMNIQBIZXFPALC-ZDUSSCGKSA-N 1 1 268.320 2.813 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000091943975 180290498 /nfs/dbraw/zinc/29/04/98/180290498.db2.gz PEWXYNKMMBTIGW-KRWDZBQOSA-N 1 1 270.376 2.709 50 30 CFEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000092022726 180307813 /nfs/dbraw/zinc/30/78/13/180307813.db2.gz IYLJNRRFNOMIIN-KRWDZBQOSA-N 1 1 293.382 2.985 50 30 CFEAMO Cc1c(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc(C#N)n1C ZINC000670440537 540995803 /nfs/dbraw/zinc/99/58/03/540995803.db2.gz VXZMZOYHWHZVFJ-QGZVFWFLSA-N 1 1 295.386 2.641 50 30 CFEAMO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000003351117 371795066 /nfs/dbraw/zinc/79/50/66/371795066.db2.gz CLPWZHHBXIAUOS-UHFFFAOYSA-N 1 1 285.372 2.690 50 30 CFEAMO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000003351117 371795073 /nfs/dbraw/zinc/79/50/73/371795073.db2.gz CLPWZHHBXIAUOS-UHFFFAOYSA-N 1 1 285.372 2.690 50 30 CFEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccccc2)c(C)c1 ZINC000004685135 371873091 /nfs/dbraw/zinc/87/30/91/371873091.db2.gz TUCJQDCFXPBJCY-UHFFFAOYSA-N 1 1 268.316 2.781 50 30 CFEAMO C=CCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012073129 371943824 /nfs/dbraw/zinc/94/38/24/371943824.db2.gz OAIXUYKSFRSPNI-HNNXBMFYSA-N 1 1 290.382 2.825 50 30 CFEAMO C=CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012703983 371981335 /nfs/dbraw/zinc/98/13/35/371981335.db2.gz LOVBGKQCRRJWHY-HNNXBMFYSA-N 1 1 264.413 2.723 50 30 CFEAMO C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000031945978 372423595 /nfs/dbraw/zinc/42/35/95/372423595.db2.gz ARKJLYKVWKRUEO-UHFFFAOYSA-N 1 1 251.333 2.628 50 30 CFEAMO N#CCCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000032900873 372471403 /nfs/dbraw/zinc/47/14/03/372471403.db2.gz JHQCEUOEYUXCNG-UHFFFAOYSA-N 1 1 277.799 2.761 50 30 CFEAMO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000042251264 372895635 /nfs/dbraw/zinc/89/56/35/372895635.db2.gz KDKRRQORUZOKFU-JKSUJKDBSA-N 1 1 256.349 2.702 50 30 CFEAMO C[N@H+](Cc1cn2ccccc2n1)Cc1cccc(C#N)c1 ZINC000057447933 373594520 /nfs/dbraw/zinc/59/45/20/373594520.db2.gz ZAMMCWPJNRAOLP-UHFFFAOYSA-N 1 1 276.343 2.838 50 30 CFEAMO C[N@@H+](Cc1cn2ccccc2n1)Cc1cccc(C#N)c1 ZINC000057447933 373594527 /nfs/dbraw/zinc/59/45/27/373594527.db2.gz ZAMMCWPJNRAOLP-UHFFFAOYSA-N 1 1 276.343 2.838 50 30 CFEAMO C=CCc1cc(C[NH2+]Cc2ncc[nH]2)ccc1OCC ZINC000065532507 373884538 /nfs/dbraw/zinc/88/45/38/373884538.db2.gz WILLHRDGRSUXNF-UHFFFAOYSA-N 1 1 271.364 2.827 50 30 CFEAMO COc1ccccc1C[C@@H]1CCC[N@H+](CCC#N)C1 ZINC000066894873 373963019 /nfs/dbraw/zinc/96/30/19/373963019.db2.gz QFFWGNXLIQTGFI-AWEZNQCLSA-N 1 1 258.365 2.863 50 30 CFEAMO COc1ccccc1C[C@@H]1CCC[N@@H+](CCC#N)C1 ZINC000066894873 373963028 /nfs/dbraw/zinc/96/30/28/373963028.db2.gz QFFWGNXLIQTGFI-AWEZNQCLSA-N 1 1 258.365 2.863 50 30 CFEAMO CC[C@H]1CN(Cc2cc(C#N)n(C)c2C)CC[N@H+]1C(C)C ZINC000072166660 374233808 /nfs/dbraw/zinc/23/38/08/374233808.db2.gz JCLPQCQBEADNDN-INIZCTEOSA-N 1 1 288.439 2.510 50 30 CFEAMO C=CCNC(=O)C[NH2+]C(C)(C)c1ccc(F)cc1Cl ZINC000074327052 374413506 /nfs/dbraw/zinc/41/35/06/374413506.db2.gz YAQBDPOPMMMBTK-UHFFFAOYSA-N 1 1 284.762 2.606 50 30 CFEAMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000082087033 374726130 /nfs/dbraw/zinc/72/61/30/374726130.db2.gz QALRMIVEXVWODG-MRXNPFEDSA-N 1 1 280.375 2.671 50 30 CFEAMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000089923845 374968762 /nfs/dbraw/zinc/96/87/62/374968762.db2.gz KPNUFKZFLISPSU-UHFFFAOYSA-N 1 1 288.391 2.550 50 30 CFEAMO C=C(Br)CN1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003726 374983842 /nfs/dbraw/zinc/98/38/42/374983842.db2.gz JPYVAVHHYUQNHS-LBPRGKRZSA-N 1 1 298.228 2.583 50 30 CFEAMO C=C(Br)C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003726 374983844 /nfs/dbraw/zinc/98/38/44/374983844.db2.gz JPYVAVHHYUQNHS-LBPRGKRZSA-N 1 1 298.228 2.583 50 30 CFEAMO C=C(Br)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003726 374983851 /nfs/dbraw/zinc/98/38/51/374983851.db2.gz JPYVAVHHYUQNHS-LBPRGKRZSA-N 1 1 298.228 2.583 50 30 CFEAMO N#Cc1ccccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200498 375537496 /nfs/dbraw/zinc/53/74/96/375537496.db2.gz CIQBREGBWRNAJE-HNNXBMFYSA-N 1 1 292.386 2.887 50 30 CFEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](CO)C(C)(C)C ZINC000134381646 378007040 /nfs/dbraw/zinc/00/70/40/378007040.db2.gz PZQFXYOOIOLWCH-MRXNPFEDSA-N 1 1 285.391 2.650 50 30 CFEAMO C=CCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000170611115 379129268 /nfs/dbraw/zinc/12/92/68/379129268.db2.gz JVPQROAZKXGOAP-LSDHHAIUSA-N 1 1 278.440 2.969 50 30 CFEAMO C[N@H+]1CC[C@H](Nc2ccc(C#N)nc2)[C@H]1c1ccccc1 ZINC000225599725 382818873 /nfs/dbraw/zinc/81/88/73/382818873.db2.gz RFFAENLKMKGDHP-DLBZAZTESA-N 1 1 278.359 2.811 50 30 CFEAMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1ccc(C#N)o1 ZINC000248396815 383235523 /nfs/dbraw/zinc/23/55/23/383235523.db2.gz QPYPWNQMZWPQOC-KBXCAEBGSA-N 1 1 295.386 2.761 50 30 CFEAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1ccc(C#N)o1 ZINC000248396815 383235526 /nfs/dbraw/zinc/23/55/26/383235526.db2.gz QPYPWNQMZWPQOC-KBXCAEBGSA-N 1 1 295.386 2.761 50 30 CFEAMO CC#CCCCC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000253417551 131143087 /nfs/dbraw/zinc/14/30/87/131143087.db2.gz XLDGAAMGNMZMIN-UHFFFAOYSA-N 1 1 284.403 2.523 50 30 CFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)cc1C)C(C)C ZINC000036098910 393521994 /nfs/dbraw/zinc/52/19/94/393521994.db2.gz FGKCUPCEPDQCNU-GOSISDBHSA-N 1 1 289.419 2.525 50 30 CFEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ncccn1 ZINC000067514335 393632437 /nfs/dbraw/zinc/63/24/37/393632437.db2.gz MKQAWMWJLVEWTK-MRXNPFEDSA-N 1 1 298.390 2.717 50 30 CFEAMO CC[N@H+](CC(=O)N(C)CCC#N)Cc1cccc(Cl)c1 ZINC000047958140 397588558 /nfs/dbraw/zinc/58/85/58/397588558.db2.gz OCWAUXZBIMMPGI-UHFFFAOYSA-N 1 1 293.798 2.534 50 30 CFEAMO CC[N@@H+](CC(=O)N(C)CCC#N)Cc1cccc(Cl)c1 ZINC000047958140 397588559 /nfs/dbraw/zinc/58/85/59/397588559.db2.gz OCWAUXZBIMMPGI-UHFFFAOYSA-N 1 1 293.798 2.534 50 30 CFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1C)[C@H](C)CC ZINC000104974871 397596511 /nfs/dbraw/zinc/59/65/11/397596511.db2.gz NIEPBSBJIRAVML-SJLPKXTDSA-N 1 1 289.419 2.606 50 30 CFEAMO CCOc1ccc(C=NNc2cc[nH+]cc2)cc1O ZINC000006393739 170197793 /nfs/dbraw/zinc/19/77/93/170197793.db2.gz CJOJUVPOPCTVBK-MHWRWJLKSA-N 1 1 257.293 2.632 50 30 CFEAMO N#Cc1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040160630 174196362 /nfs/dbraw/zinc/19/63/62/174196362.db2.gz RJMVNNKRPIZOPB-INIZCTEOSA-N 1 1 278.359 2.640 50 30 CFEAMO N#Cc1c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cn2ccccc12 ZINC000071850384 176276795 /nfs/dbraw/zinc/27/67/95/176276795.db2.gz BSSOBVYIUDQYFX-AWEZNQCLSA-N 1 1 295.386 2.812 50 30 CFEAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)C#N)CC1 ZINC000055325947 260220447 /nfs/dbraw/zinc/22/04/47/260220447.db2.gz ZWTPQRDQGFDNOZ-UHFFFAOYSA-N 1 1 299.418 2.579 50 30 CFEAMO C[C@@H]1C[N@@H+](C)Cc2c1nc(N)c(C#N)c2-c1cccs1 ZINC000072121962 274338638 /nfs/dbraw/zinc/33/86/38/274338638.db2.gz TXEXOTVQMGUEOQ-SECBINFHSA-N 1 1 284.388 2.813 50 30 CFEAMO C[C@@H]1CN(c2ccccc2C#N)C(=O)C[N@@H+]1CC1CCCC1 ZINC000082134897 274365929 /nfs/dbraw/zinc/36/59/29/274365929.db2.gz KQPKSKHXXVRPQI-CQSZACIVSA-N 1 1 297.402 2.786 50 30 CFEAMO C[C@@H]1CN(c2ccccc2C#N)C(=O)C[N@H+]1CC1CCCC1 ZINC000082134897 274365930 /nfs/dbraw/zinc/36/59/30/274365930.db2.gz KQPKSKHXXVRPQI-CQSZACIVSA-N 1 1 297.402 2.786 50 30 CFEAMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000095405869 277120540 /nfs/dbraw/zinc/12/05/40/277120540.db2.gz KXMNHQPTVBCXHZ-MNOVXSKESA-N 1 1 278.318 2.704 50 30 CFEAMO CC[C@H]1C[N@@H+](CCCC#N)[C@@H](CC)CN1CCCC#N ZINC000195530717 288287155 /nfs/dbraw/zinc/28/71/55/288287155.db2.gz SAJUVTKYZJWTSA-HOTGVXAUSA-N 1 1 276.428 2.769 50 30 CFEAMO Cc1ccc2c(c1)c1c(n2CCC#N)CC[N@@H+](C)C1 ZINC000002116110 281130441 /nfs/dbraw/zinc/13/04/41/281130441.db2.gz DFYXVIAMHBGWFS-UHFFFAOYSA-N 1 1 253.349 2.851 50 30 CFEAMO Cc1ccc2c(c1)c1c(n2CCC#N)CC[N@H+](C)C1 ZINC000002116110 281130445 /nfs/dbraw/zinc/13/04/45/281130445.db2.gz DFYXVIAMHBGWFS-UHFFFAOYSA-N 1 1 253.349 2.851 50 30 CFEAMO C=CCn1cc(C[N@@H+](C)CC[C@H](O)c2ccccc2)c(C)n1 ZINC000055386800 519275595 /nfs/dbraw/zinc/27/55/95/519275595.db2.gz IDISSWRUKPPPMK-SFHVURJKSA-N 1 1 299.418 2.933 50 30 CFEAMO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)CCCC1 ZINC000055927898 526433656 /nfs/dbraw/zinc/43/36/56/526433656.db2.gz DEMPTNRBMKBPJY-HNNXBMFYSA-N 1 1 289.423 2.594 50 30 CFEAMO CCC[N@H+]1CC[C@H](CNc2nc(C)cc(C)c2C#N)C1 ZINC000091457762 347587367 /nfs/dbraw/zinc/58/73/67/347587367.db2.gz ZTEQZLVXMCVKMF-CQSZACIVSA-N 1 1 272.396 2.714 50 30 CFEAMO CC[C@@H]1CN(C(=O)c2ccccc2C#N)CC[N@H+]1C(C)C ZINC000091350620 180137493 /nfs/dbraw/zinc/13/74/93/180137493.db2.gz JLFPFBDRJCDMGJ-OAHLLOKOSA-N 1 1 285.391 2.503 50 30 CFEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000091695416 180229020 /nfs/dbraw/zinc/22/90/20/180229020.db2.gz JUKVIOWAHYQEMR-QGZVFWFLSA-N 1 1 270.376 2.709 50 30 CFEAMO CCC#CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091756470 180246565 /nfs/dbraw/zinc/24/65/65/180246565.db2.gz MUPUFUSTFHIPFN-SJLPKXTDSA-N 1 1 296.414 2.636 50 30 CFEAMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@]1(O)C1CCC1 ZINC000091974371 180296953 /nfs/dbraw/zinc/29/69/53/180296953.db2.gz HHIRZVSBIFBYBU-KDOFPFPSSA-N 1 1 284.403 2.931 50 30 CFEAMO Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)[nH+]1 ZINC000000403651 371606433 /nfs/dbraw/zinc/60/64/33/371606433.db2.gz NKIDELMZCLMHBH-UHFFFAOYSA-N 1 1 266.348 2.940 50 30 CFEAMO Oc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012560963 371976665 /nfs/dbraw/zinc/97/66/65/371976665.db2.gz VYJJTZBKMFTTEX-XMHGGMMESA-N 1 1 295.386 2.544 50 30 CFEAMO N#Cc1c(/[NH+]=C/N2CCOCC2)sc2c1CCCCC2 ZINC000019854431 372199286 /nfs/dbraw/zinc/19/92/86/372199286.db2.gz XCFKEYDXZQLRIS-GZTJUZNOSA-N 1 1 289.404 2.881 50 30 CFEAMO N#CCC[C@H](C#N)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000025304122 372293786 /nfs/dbraw/zinc/29/37/86/372293786.db2.gz IRXCQCOBLRAUHV-GOSISDBHSA-N 1 1 296.418 2.638 50 30 CFEAMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000025419984 372301050 /nfs/dbraw/zinc/30/10/50/372301050.db2.gz MNDNPVYZYYDIBB-INIZCTEOSA-N 1 1 288.391 2.562 50 30 CFEAMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1O)OCO2 ZINC000025477615 372301243 /nfs/dbraw/zinc/30/12/43/372301243.db2.gz JZGHBUOKIBELFB-UHFFFAOYSA-N 1 1 296.326 2.625 50 30 CFEAMO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047272563 373084019 /nfs/dbraw/zinc/08/40/19/373084019.db2.gz RQKPNOYYEWOWLT-HUUCEWRRSA-N 1 1 286.335 2.505 50 30 CFEAMO C=CC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000048342183 373165319 /nfs/dbraw/zinc/16/53/19/373165319.db2.gz KZFGOGFIUDEEMH-UHFFFAOYSA-N 1 1 257.280 2.914 50 30 CFEAMO C=CC[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000051709519 373405874 /nfs/dbraw/zinc/40/58/74/373405874.db2.gz ODYLGDJGYJBEQE-UHFFFAOYSA-N 1 1 257.280 2.914 50 30 CFEAMO C[N@@H+](CC(=O)NCCC#N)C1CCC(c2ccccc2)CC1 ZINC000058440595 373658217 /nfs/dbraw/zinc/65/82/17/373658217.db2.gz OADJGIXNSJFTEP-UHFFFAOYSA-N 1 1 299.418 2.674 50 30 CFEAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)no1 ZINC000067350446 373976712 /nfs/dbraw/zinc/97/67/12/373976712.db2.gz OPERHSZCWYYBPE-HNNXBMFYSA-N 1 1 282.347 2.629 50 30 CFEAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000070040504 374119297 /nfs/dbraw/zinc/11/92/97/374119297.db2.gz ZCXLYIDNLYSRAI-QGZVFWFLSA-N 1 1 280.375 2.728 50 30 CFEAMO Cn1cc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cn1 ZINC000069667578 374084652 /nfs/dbraw/zinc/08/46/52/374084652.db2.gz PRFMQQUAIVGTEB-QGZVFWFLSA-N 1 1 296.374 2.508 50 30 CFEAMO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000069778849 374095695 /nfs/dbraw/zinc/09/56/95/374095695.db2.gz SVAHMSJFUSORLA-MRXNPFEDSA-N 1 1 284.338 2.768 50 30 CFEAMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)cn1 ZINC000069778849 374095703 /nfs/dbraw/zinc/09/57/03/374095703.db2.gz SVAHMSJFUSORLA-MRXNPFEDSA-N 1 1 284.338 2.768 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)[nH]n1 ZINC000078901035 374573072 /nfs/dbraw/zinc/57/30/72/374573072.db2.gz YBPVLYTVLCBJPV-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000078901035 374573078 /nfs/dbraw/zinc/57/30/78/374573078.db2.gz YBPVLYTVLCBJPV-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000078901035 374573086 /nfs/dbraw/zinc/57/30/86/374573086.db2.gz YBPVLYTVLCBJPV-MRXNPFEDSA-N 1 1 280.375 2.969 50 30 CFEAMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1(C(N)=O)CCCC1 ZINC000093211762 375195596 /nfs/dbraw/zinc/19/55/96/375195596.db2.gz PGBHGAWGIJFMEV-UHFFFAOYSA-N 1 1 299.418 2.718 50 30 CFEAMO Cc1nccn1CCC[N@H+](C)Cc1ccccc1C#N ZINC000136311947 378194593 /nfs/dbraw/zinc/19/45/93/378194593.db2.gz XCFXKCLMUAVSIL-UHFFFAOYSA-N 1 1 268.364 2.585 50 30 CFEAMO Cc1ccc(NC[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)nc1 ZINC000222204579 382801541 /nfs/dbraw/zinc/80/15/41/382801541.db2.gz IFLUXMVICZVMDC-HZPDHXFCSA-N 1 1 297.406 2.567 50 30 CFEAMO Cc1ccc(NC[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)nc1 ZINC000222204579 382801545 /nfs/dbraw/zinc/80/15/45/382801545.db2.gz IFLUXMVICZVMDC-HZPDHXFCSA-N 1 1 297.406 2.567 50 30 CFEAMO CCOC(=O)c1c([NH+]=CN(C)C)sc2c1CCC2 ZINC000252588847 383421030 /nfs/dbraw/zinc/42/10/30/383421030.db2.gz AEZXGOOZIUWETC-UHFFFAOYSA-N 1 1 266.366 2.635 50 30 CFEAMO CC[C@@]1(C)C[C@@]2(CCC[N@H+](CC#CCN(C)C)C2)CCO1 ZINC000004023336 393457567 /nfs/dbraw/zinc/45/75/67/393457567.db2.gz YSTCJAQWGIWABF-ZWKOTPCHSA-N 1 1 292.467 2.613 50 30 CFEAMO CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CC#CCN(C)C)C2)CCO1 ZINC000004023336 393457574 /nfs/dbraw/zinc/45/75/74/393457574.db2.gz YSTCJAQWGIWABF-ZWKOTPCHSA-N 1 1 292.467 2.613 50 30 CFEAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(CO)CCCC1 ZINC000329525089 393541839 /nfs/dbraw/zinc/54/18/39/393541839.db2.gz SLSGSLQFAJBEJJ-AWEZNQCLSA-N 1 1 282.428 2.760 50 30 CFEAMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042977798 393557437 /nfs/dbraw/zinc/55/74/37/393557437.db2.gz WSWLHZJKDMYOEV-UHFFFAOYSA-N 1 1 292.810 2.972 50 30 CFEAMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042977798 393557445 /nfs/dbraw/zinc/55/74/45/393557445.db2.gz WSWLHZJKDMYOEV-UHFFFAOYSA-N 1 1 292.810 2.972 50 30 CFEAMO C=CC[N@@H+]1CC[C@H](CNc2cc(C(C)C)nc(C)n2)C1 ZINC000065488683 393631747 /nfs/dbraw/zinc/63/17/47/393631747.db2.gz NNAZBEOOMWQBBY-CQSZACIVSA-N 1 1 274.412 2.828 50 30 CFEAMO C[C@@H](CNC(=O)C1(C#N)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000078879059 393713403 /nfs/dbraw/zinc/71/34/03/393713403.db2.gz ZQCFFBOPQMITTM-HNNXBMFYSA-N 1 1 299.418 2.707 50 30 CFEAMO C=C(C)[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000245225929 393799759 /nfs/dbraw/zinc/79/97/59/393799759.db2.gz ABKDBHRAGTZDQX-ROUUACIJSA-N 1 1 284.403 2.939 50 30 CFEAMO C=C(C)[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000245225929 393799762 /nfs/dbraw/zinc/79/97/62/393799762.db2.gz ABKDBHRAGTZDQX-ROUUACIJSA-N 1 1 284.403 2.939 50 30 CFEAMO C=CC[N@H+](C[C@@H]1C(C)=CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000249068064 393919922 /nfs/dbraw/zinc/91/99/22/393919922.db2.gz JBSFWONWUVKEQT-OWCLPIDISA-N 1 1 297.464 2.654 50 30 CFEAMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000010052019 170396866 /nfs/dbraw/zinc/39/68/66/170396866.db2.gz BUXVSWKNXQCECB-GFCCVEGCSA-N 1 1 259.353 2.617 50 30 CFEAMO C[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC000044875138 175269336 /nfs/dbraw/zinc/26/93/36/175269336.db2.gz UERDDUAXYQLQCC-LBPRGKRZSA-N 1 1 297.358 2.975 50 30 CFEAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)oc3ccccc32)C1 ZINC000044875138 175269337 /nfs/dbraw/zinc/26/93/37/175269337.db2.gz UERDDUAXYQLQCC-LBPRGKRZSA-N 1 1 297.358 2.975 50 30 CFEAMO N#C[C@H](C(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000004866143 260016462 /nfs/dbraw/zinc/01/64/62/260016462.db2.gz YHCMXAUXHBPMML-HNNXBMFYSA-N 1 1 256.349 2.739 50 30 CFEAMO N#C[C@@H](C(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000004866142 260016480 /nfs/dbraw/zinc/01/64/80/260016480.db2.gz YHCMXAUXHBPMML-OAHLLOKOSA-N 1 1 256.349 2.739 50 30 CFEAMO C#CC(C)(C)[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H](C)C1 ZINC000033285551 275378971 /nfs/dbraw/zinc/37/89/71/275378971.db2.gz VLPZXHXIPQDJKJ-WMLDXEAASA-N 1 1 257.377 2.628 50 30 CFEAMO C[N@H+]1CCc2nc(N)c(C#N)c(-c3ccccc3Cl)c2C1 ZINC000018222568 277188233 /nfs/dbraw/zinc/18/82/33/277188233.db2.gz CYGDAVNVOYHOKM-UHFFFAOYSA-N 1 1 298.777 2.844 50 30 CFEAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cccc(F)c2C#N)C1 ZINC000269073293 290240725 /nfs/dbraw/zinc/24/07/25/290240725.db2.gz ATNSTALBRQOFND-WFASDCNBSA-N 1 1 273.355 2.618 50 30 CFEAMO C=CCOc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488737 526895357 /nfs/dbraw/zinc/89/53/57/526895357.db2.gz IMQQVRLNIVVRFU-GASCZTMLSA-N 1 1 291.391 2.739 50 30 CFEAMO C=CCOc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488737 526895360 /nfs/dbraw/zinc/89/53/60/526895360.db2.gz IMQQVRLNIVVRFU-GASCZTMLSA-N 1 1 291.391 2.739 50 30 CFEAMO C=C(C)C[N@H+](CC)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000023282015 618359064 /nfs/dbraw/zinc/35/90/64/618359064.db2.gz SKKKJDRBXMVROX-UHFFFAOYSA-N 1 1 299.418 2.882 50 30 CFEAMO N#CCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000098013271 230390412 /nfs/dbraw/zinc/39/04/12/230390412.db2.gz XNURDWMTECGCEH-UHFFFAOYSA-N 1 1 254.337 2.656 50 30 CFEAMO C=CCc1ccccc1OCCC[NH+]1CCOCC1 ZINC000020117883 346243080 /nfs/dbraw/zinc/24/30/80/346243080.db2.gz QHDIEPICPHGTDG-UHFFFAOYSA-N 1 1 261.365 2.516 50 30 CFEAMO [NH2+]=C(NOC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000038822863 346339691 /nfs/dbraw/zinc/33/96/91/346339691.db2.gz HBUAWRJQCZWVEP-UHFFFAOYSA-N 1 1 274.707 2.817 50 30 CFEAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000110702351 186313732 /nfs/dbraw/zinc/31/37/32/186313732.db2.gz JZUDRBBKHZWUQT-CHWSQXEVSA-N 1 1 250.367 2.867 50 30 CFEAMO N#Cc1ccccc1C(=O)c1cccc(C[NH+]2CCC2)c1 ZINC000002515107 371731625 /nfs/dbraw/zinc/73/16/25/371731625.db2.gz VBECEPWTMYZXDD-UHFFFAOYSA-N 1 1 276.339 2.995 50 30 CFEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2cccs2)c1 ZINC000004170118 371838944 /nfs/dbraw/zinc/83/89/44/371838944.db2.gz XRPVRHOSGACNPK-UHFFFAOYSA-N 1 1 260.318 2.534 50 30 CFEAMO C#CC1(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC000012419827 371963341 /nfs/dbraw/zinc/96/33/41/371963341.db2.gz OCYWTORKQAWKIA-IXDOHACOSA-N 1 1 293.451 2.678 50 30 CFEAMO Cc1cccc(C(=O)O/N=C2\C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000013556169 372031367 /nfs/dbraw/zinc/03/13/67/372031367.db2.gz WSBKLQGARDLANT-LTUGMUNRSA-N 1 1 274.364 2.868 50 30 CFEAMO C(=N/N1CC[NH+](Cc2ccccc2)CC1)\c1cccs1 ZINC000019771791 372184288 /nfs/dbraw/zinc/18/42/88/372184288.db2.gz YVWDYPMRNJTENU-GHRIWEEISA-N 1 1 285.416 2.900 50 30 CFEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccnc3)CC2)cc1 ZINC000019849069 372200249 /nfs/dbraw/zinc/20/02/49/372200249.db2.gz NGJTVXIBVGPTKY-ZHZULCJRSA-N 1 1 294.402 2.542 50 30 CFEAMO C[C@H]1c2cccn2CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000023706807 372264971 /nfs/dbraw/zinc/26/49/71/372264971.db2.gz CILPHOQVIIQSDK-AWEZNQCLSA-N 1 1 281.359 2.815 50 30 CFEAMO C[C@H]1c2cccn2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000023706807 372264980 /nfs/dbraw/zinc/26/49/80/372264980.db2.gz CILPHOQVIIQSDK-AWEZNQCLSA-N 1 1 281.359 2.815 50 30 CFEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1F ZINC000026329249 372318371 /nfs/dbraw/zinc/31/83/71/372318371.db2.gz KKWZDOVSSICBDH-KRWDZBQOSA-N 1 1 284.334 2.863 50 30 CFEAMO N#Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000058246123 373636992 /nfs/dbraw/zinc/63/69/92/373636992.db2.gz FQMOXMZITAXUKD-UHFFFAOYSA-N 1 1 266.348 2.661 50 30 CFEAMO CC(C)[N@H+]1CC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000060355887 373691157 /nfs/dbraw/zinc/69/11/57/373691157.db2.gz NAAMBKAJMKPXGT-LBPRGKRZSA-N 1 1 261.344 2.840 50 30 CFEAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000070040090 374117747 /nfs/dbraw/zinc/11/77/47/374117747.db2.gz HWDWZBIULDZKOB-KRWDZBQOSA-N 1 1 280.375 2.728 50 30 CFEAMO C=C(Br)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000076325272 374548033 /nfs/dbraw/zinc/54/80/33/374548033.db2.gz GLYRTCCVBLPCBX-QWRGUYRKSA-N 1 1 262.191 2.520 50 30 CFEAMO Cn1cc[nH+]c1CCNc1cc(C#N)ccc1C(F)(F)F ZINC000097096885 375517122 /nfs/dbraw/zinc/51/71/22/375517122.db2.gz RKSKSUMNSLZFDH-UHFFFAOYSA-N 1 1 294.280 2.965 50 30 CFEAMO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000332219460 378737463 /nfs/dbraw/zinc/73/74/63/378737463.db2.gz VJMFXDGBCYADST-XHDPSFHLSA-N 1 1 282.347 2.800 50 30 CFEAMO C=CCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000170611114 379129742 /nfs/dbraw/zinc/12/97/42/379129742.db2.gz JVPQROAZKXGOAP-HUUCEWRRSA-N 1 1 278.440 2.969 50 30 CFEAMO Cc1cccc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]1 ZINC000354860492 381492258 /nfs/dbraw/zinc/49/22/58/381492258.db2.gz VDGSINDKOFOTGG-INIZCTEOSA-N 1 1 279.343 2.840 50 30 CFEAMO C[N@@H+](CCSc1cnc(C#N)cn1)Cc1ccccc1 ZINC000193745573 382724271 /nfs/dbraw/zinc/72/42/71/382724271.db2.gz XEJPQXBTTUZXGN-UHFFFAOYSA-N 1 1 284.388 2.572 50 30 CFEAMO CC(C)[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)C1 ZINC000252503537 383414990 /nfs/dbraw/zinc/41/49/90/383414990.db2.gz VETMSPGRXVSCNX-NSHDSACASA-N 1 1 264.760 2.501 50 30 CFEAMO C=CCC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012591033 393475090 /nfs/dbraw/zinc/47/50/90/393475090.db2.gz TYDVRTWEPIALLO-CQSZACIVSA-N 1 1 264.413 2.866 50 30 CFEAMO C=CCNC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007360 393505177 /nfs/dbraw/zinc/50/51/77/393505177.db2.gz UMBJRWLJJGYMIU-AWEZNQCLSA-N 1 1 287.407 2.780 50 30 CFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(C)s1)C(C)C ZINC000036101223 393521781 /nfs/dbraw/zinc/52/17/81/393521781.db2.gz LOXMAWQUVXAJSU-CQSZACIVSA-N 1 1 283.437 2.830 50 30 CFEAMO CC(C)[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)C1 ZINC000252503536 393936041 /nfs/dbraw/zinc/93/60/41/393936041.db2.gz VETMSPGRXVSCNX-LLVKDONJSA-N 1 1 264.760 2.501 50 30 CFEAMO C[C@H](CC#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000585105567 395100298 /nfs/dbraw/zinc/10/02/98/395100298.db2.gz DUMAHOBKUGONLZ-CVEARBPZSA-N 1 1 299.418 2.659 50 30 CFEAMO COc1ccc(/C=N/[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785715 170017014 /nfs/dbraw/zinc/01/70/14/170017014.db2.gz CZTMDZPKDBTDSQ-OCCSGTKHSA-N 1 1 260.381 2.843 50 30 CFEAMO Cc1ccc(NC(=O)CO[NH+]=C(N)C(C)(C)C)cc1C ZINC000040155648 174194901 /nfs/dbraw/zinc/19/49/01/174194901.db2.gz FIYKADMLBWKTNQ-UHFFFAOYSA-N 1 1 277.368 2.577 50 30 CFEAMO CCn1cc(C[N@H+]2CC[C@H](n3nc(C)cc3C)C2)cc1C#N ZINC000072144351 176324303 /nfs/dbraw/zinc/32/43/03/176324303.db2.gz VESHIEAUYWLIDG-INIZCTEOSA-N 1 1 297.406 2.640 50 30 CFEAMO CC(=O)ONC(=[NH2+])Cc1csc2ccc(Cl)cc12 ZINC000008552968 275498207 /nfs/dbraw/zinc/49/82/07/275498207.db2.gz NCFPTUJQNZCGCZ-UHFFFAOYSA-N 1 1 282.752 2.933 50 30 CFEAMO